4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

C17H14Cl2N4O — CID 112866265

IUPAC4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3c(Cl)cccc3Cl)ncn2)cc1
InChIInChI=1S/C17H14Cl2N4O/c1-24-12-7-5-11(6-8-12)22-15-9-16(21-10-20-15)23-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLFZXMNDEBVBXGD-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.28
Rot. Bonds5

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

4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866265) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866265
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3c(Cl)cccc3Cl)ncn2)cc1
InChIInChI=1S/C17H14Cl2N4O/c1-24-12-7-5-11(6-8-12)22-15-9-16(21-10-20-15)23-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLFZXMNDEBVBXGD-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

4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967444
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866008
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (CID 112866265) is 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3c(Cl)cccc3Cl)ncn2)cc1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is LFZXMNDEBVBXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-24-12-7-5-11(6-8-12)22-15-9-16(21-10-20-15)23-17-13(18)3-2-4-14(17)19/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-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 4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).