6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine

C18H16Cl2N4O2 — CID 112866516

IUPAC6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(Cl)c3Cl)ncn2)c(OC)c1
InChIInChI=1S/C18H16Cl2N4O2/c1-25-11-6-7-13(15(8-11)26-2)23-16-9-17(22-10-21-16)24-14-5-3-4-12(19)18(14)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyGIJRSMBSBHLGLR-UHFFFAOYSA-N
MW391.26 g/mol
LogP5.29
Rot. Bonds6

About 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine

6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866516) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866516
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(Cl)c3Cl)ncn2)c(OC)c1
InChIInChI=1S/C18H16Cl2N4O2/c1-25-11-6-7-13(15(8-11)26-2)23-16-9-17(22-10-21-16)24-14-5-3-4-12(19)18(14)20/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyGIJRSMBSBHLGLR-UHFFFAOYSA-N
XLogP5.29
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.26
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864033
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 112866516) is 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3cccc(Cl)c3Cl)ncn2)c(OC)c1.
What is the InChIKey of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GIJRSMBSBHLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-25-11-6-7-13(15(8-11)26-2)23-16-9-17(22-10-21-16)24-14-5-3-4-12(19)18(14)20/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 391.26 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).