2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C17H14Cl2N4O — CID 112904571

IUPAC2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-24-14-8-3-2-6-12(14)21-15-9-10-20-17(23-15)22-13-7-4-5-11(18)16(13)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyNPNZPYXHLQNVGW-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.28
Rot. Bonds5

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

2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112904571) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112904571
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-24-14-8-3-2-6-12(14)21-15-9-10-20-17(23-15)22-13-7-4-5-11(18)16(13)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyNPNZPYXHLQNVGW-UHFFFAOYSA-N
XLogP5.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903886
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
4-N-(4-bromophenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904434
2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904556
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
methyl 4-[[2-(2,3-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 112905974
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904305
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112906065
4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906719

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 112904571) is 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1ccnc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is NPNZPYXHLQNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-24-14-8-3-2-6-12(14)21-15-9-10-20-17(23-15)22-13-7-4-5-11(18)16(13)19/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 361.23 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).