4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline

C90H62ClF7N18O4 — CID 159096914

IUPAC4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
SMILESFc1cc(Cc2nccc(C(F)(F)F)n2)ccc1Oc1cccc2cnccc12.Nc1nc(Cl)cc(Cc2ccc(Oc3cccc4cnccc34)c(F)c2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2cccnc2)n1
InChIInChI=1S/C25H18FN5O.C24H17FN6O.C21H13F4N3O.C20H14ClFN4O/c26-20-13-18(29-24-14-21(30-25(27)31-24)16-5-2-1-3-6-16)9-10-23(20)32-22-8-4-7-17-15-28-12-11-19(17)22;25-19-11-17(29-23-12-20(30-24(26)31-23)16-4-2-9-27-14-16)6-7-22(19)32-21-5-1-3-15-13-28-10-8-18(15)21;22-16-10-13(11-20-27-9-7-19(28-20)21(23,24)25)4-5-18(16)29-17-3-1-2-14-12-26-8-6-15(14)17;21-19-10-14(25-20(23)26-19)8-12-4-5-18(16(22)9-12)27-17-3-1-2-13-11-24-7-6-15(13)17/h1-15H,(H3,27,29,30,31);1-14H,(H3,26,29,30,31);1-10,12H,11H2;1-7,9-11H,8H2,(H2,23,25,26)
InChIKeyKCUAQWSADMUTSA-UHFFFAOYSA-N
MW1628.05 g/mol
LogP21.64
Rot. Bonds18

About 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline

4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline (PubChem CID 159096914) has the molecular formula C90H62ClF7N18O4 and a molecular weight of 1628.05 g/mol. Its IUPAC name is 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline.

Molecular Properties

Compound Name4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
PubChem CID159096914
Molecular FormulaC90H62ClF7N18O4
Molecular Weight1628.05 g/mol
Exact Mass1626.48
IUPAC Name4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
SMILESFc1cc(Cc2nccc(C(F)(F)F)n2)ccc1Oc1cccc2cnccc12.Nc1nc(Cl)cc(Cc2ccc(Oc3cccc4cnccc34)c(F)c2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2cccnc2)n1
InChIInChI=1S/C25H18FN5O.C24H17FN6O.C21H13F4N3O.C20H14ClFN4O/c26-20-13-18(29-24-14-21(30-25(27)31-24)16-5-2-1-3-6-16)9-10-23(20)32-22-8-4-7-17-15-28-12-11-19(17)22;25-19-11-17(29-23-12-20(30-24(26)31-23)16-4-2-9-27-14-16)6-7-22(19)32-21-5-1-3-15-13-28-10-8-18(15)21;22-16-10-13(11-20-27-9-7-19(28-20)21(23,24)25)4-5-18(16)29-17-3-1-2-14-12-26-8-6-15(14)17;21-19-10-14(25-20(23)26-19)8-12-4-5-18(16(22)9-12)27-17-3-1-2-13-11-24-7-6-15(13)17/h1-15H,(H3,27,29,30,31);1-14H,(H3,26,29,30,31);1-10,12H,11H2;1-7,9-11H,8H2,(H2,23,25,26)
InChIKeyKCUAQWSADMUTSA-UHFFFAOYSA-N
XLogP21.64
TPSA306.61 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.05
LogP ≤ 521.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline with MolForge

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Related Compounds

4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 20819964
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine
CID 10286969
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-quinolin-6-ylpyrimidine-2,4-diamine
CID 12114243
N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 20819963
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 20819965
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 22324291
6-chloro-4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4-diamine
CID 22324294
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 22324303
N-(3-chloro-4-fluorophenyl)-6-(2-morpholinoethoxy)-2-(pyridin-3-yl)quinazolin-4-amine
CID 67298318
2-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(oxan-3-yloxy)quinazolin-5-yl]-N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68907687
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine
CID 71180080
N-(3-chloro-4-fluorophenyl)-6-(4-morpholin-4-ylbutoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline?
The IUPAC name of 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline (CID 159096914) is 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline.
What is the SMILES notation for 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline?
The canonical SMILES for 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline is Fc1cc(Cc2nccc(C(F)(F)F)n2)ccc1Oc1cccc2cnccc12.Nc1nc(Cl)cc(Cc2ccc(Oc3cccc4cnccc34)c(F)c2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2cccnc2)n1.
What is the InChIKey of 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline?
The InChIKey is KCUAQWSADMUTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O.C24H17FN6O.C21H13F4N3O.C20H14ClFN4O/c26-20-13-18(29-24-14-21(30-25(27)31-24)16-5-2-1-3-6-16)9-10-23(20)32-22-8-4-7-17-15-28-12-11-19(17)22;25-19-11-17(29-23-12-20(30-24(26)31-23)16-4-2-9-27-14-16)6-7-22(19)32-21-5-1-3-15-13-28-10-8-18(15)21;22-16-10-13(11-20-27-9-7-19(28-20)21(23,24)25)4-5-18(16)29-17-3-1-2-14-12-26-8-6-15(14)17;21-19-10-14(25-20(23)26-19)8-12-4-5-18(16(22)9-12)27-17-3-1-2-13-11-24-7-6-15(13)17/h1-15H,(H3,27,29,30,31);1-14H,(H3,26,29,30,31);1-10,12H,11H2;1-7,9-11H,8H2,(H2,23,25,26).
What are the key properties of 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline?
4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline has a molecular weight of 1628.05 g/mol, XLogP of 21.64, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline is sourced from PubChem (CID 159096914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).