2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine

C18H15ClN6O — CID 15980172

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc1Cl
InChIInChI=1S/C18H15ClN6O/c1-26-16-6-5-11(9-13(16)19)22-18-20-8-7-17(24-18)23-14-3-2-4-15-12(14)10-21-25-15/h2-10H,1H3,(H,21,25)(H2,20,22,23,24)
InChIKeyRSUUTNRPYXYWCY-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.50
Rot. Bonds5

About 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine

2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 15980172) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
PubChem CID15980172
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc1Cl
InChIInChI=1S/C18H15ClN6O/c1-26-16-6-5-11(9-13(16)19)22-18-20-8-7-17(24-18)23-14-3-2-4-15-12(14)10-21-25-15/h2-10H,1H3,(H,21,25)(H2,20,22,23,24)
InChIKeyRSUUTNRPYXYWCY-UHFFFAOYSA-N
XLogP4.50
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-phenylamino)-3-(4-methoxy-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327828
4-N-(3-chlorophenyl)-3-N-[(3-methoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327837
4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327838
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
N-[4-(2-chlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640226
N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743057
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 137551961
6-(5-Chloro-2-methoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11245550
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimdine-2,4-diamine
CID 11361007
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11524582
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(methylamino)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11597061

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine (CID 15980172) is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is RSUUTNRPYXYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-16-6-5-11(9-13(16)19)22-18-20-8-7-17(24-18)23-14-3-2-4-15-12(14)10-21-25-15/h2-10H,1H3,(H,21,25)(H2,20,22,23,24).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine?
2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 366.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 15980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).