5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine

C38H41Cl3N10O6 — CID 158304538

IUPAC5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine
SMILESCOc1cc(OC)nc(Oc2ccc(CCN)cc2)n1.COc1cc(OC)nc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)n1.Cc1ncnc(Cl)c1Cl
InChIInChI=1S/C19H20ClN5O3.C14H17N3O3.C5H4Cl2N2/c1-12-17(20)18(23-11-22-12)21-9-8-13-4-6-14(7-5-13)28-19-24-15(26-2)10-16(25-19)27-3;1-18-12-9-13(19-2)17-14(16-12)20-11-5-3-10(4-6-11)7-8-15;1-3-4(6)5(7)9-2-8-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23);3-6,9H,7-8,15H2,1-2H3;2H,1H3
InChIKeyGMXMLCJFGWDPJO-UHFFFAOYSA-N
MW840.17 g/mol
LogP7.57
Rot. Bonds14

About 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine

5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine (PubChem CID 158304538) has the molecular formula C38H41Cl3N10O6 and a molecular weight of 840.17 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine
PubChem CID158304538
Molecular FormulaC38H41Cl3N10O6
Molecular Weight840.17 g/mol
Exact Mass838.23
IUPAC Name5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine
SMILESCOc1cc(OC)nc(Oc2ccc(CCN)cc2)n1.COc1cc(OC)nc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)n1.Cc1ncnc(Cl)c1Cl
InChIInChI=1S/C19H20ClN5O3.C14H17N3O3.C5H4Cl2N2/c1-12-17(20)18(23-11-22-12)21-9-8-13-4-6-14(7-5-13)28-19-24-15(26-2)10-16(25-19)27-3;1-18-12-9-13(19-2)17-14(16-12)20-11-5-3-10(4-6-11)7-8-15;1-3-4(6)5(7)9-2-8-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23);3-6,9H,7-8,15H2,1-2H3;2H,1H3
InChIKeyGMXMLCJFGWDPJO-UHFFFAOYSA-N
XLogP7.57
TPSA196.55 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.17
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine with MolForge

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Related Compounds

5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
CID 144611754
5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
5-chloro-6-(trifluoromethyl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-(trifluoromethyl)pyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 158592691
2-[4-(6-methoxy-2-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 66331868
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-(2-aminoethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 56715548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine?
The IUPAC name of 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine (CID 158304538) is 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine is COc1cc(OC)nc(Oc2ccc(CCN)cc2)n1.COc1cc(OC)nc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)n1.Cc1ncnc(Cl)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine?
The InChIKey is GMXMLCJFGWDPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3.C14H17N3O3.C5H4Cl2N2/c1-12-17(20)18(23-11-22-12)21-9-8-13-4-6-14(7-5-13)28-19-24-15(26-2)10-16(25-19)27-3;1-18-12-9-13(19-2)17-14(16-12)20-11-5-3-10(4-6-11)7-8-15;1-3-4(6)5(7)9-2-8-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22,23);3-6,9H,7-8,15H2,1-2H3;2H,1H3.
What are the key properties of 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine?
5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine has a molecular weight of 840.17 g/mol, XLogP of 7.57, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 158304538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).