4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

C18H16Cl2N4O — CID 112860320

IUPAC4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cccc(Cl)c3Cl)ncn2)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-25-13-7-5-12(6-8-13)10-21-16-9-17(23-11-22-16)24-15-4-2-3-14(19)18(15)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyHQDVOEIFXGXHCC-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.15
Rot. Bonds6

About 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112860320) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112860320
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cccc(Cl)c3Cl)ncn2)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-25-13-7-5-12(6-8-13)10-21-16-9-17(23-11-22-16)24-15-4-2-3-14(19)18(15)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyHQDVOEIFXGXHCC-UHFFFAOYSA-N
XLogP5.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
methyl 4-chloro-3-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860294
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
6-N-[(4-methoxyphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112860328
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (CID 112860320) is 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3cccc(Cl)c3Cl)ncn2)cc1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is HQDVOEIFXGXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-25-13-7-5-12(6-8-13)10-21-16-9-17(23-11-22-16)24-15-4-2-3-14(19)18(15)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 375.26 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).