4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine

C12H12Cl2N4O — CID 104725895

IUPAC4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2cc(Cl)c(C)cc2Cl)c1N
InChIInChI=1S/C12H12Cl2N4O/c1-6-3-8(14)9(4-7(6)13)18-11-10(15)12(19-2)17-5-16-11/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyKLBLRBWLSHBTFZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.43
Rot. Bonds3

About 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine

4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine (PubChem CID 104725895) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
PubChem CID104725895
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2cc(Cl)c(C)cc2Cl)c1N
InChIInChI=1S/C12H12Cl2N4O/c1-6-3-8(14)9(4-7(6)13)18-11-10(15)12(19-2)17-5-16-11/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyKLBLRBWLSHBTFZ-UHFFFAOYSA-N
XLogP3.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
CID 113445735
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 104724894
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine (CID 104725895) is 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine is COc1ncnc(Nc2cc(Cl)c(C)cc2Cl)c1N.
What is the InChIKey of 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine?
The InChIKey is KLBLRBWLSHBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-6-3-8(14)9(4-7(6)13)18-11-10(15)12(19-2)17-5-16-11/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine?
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine has a molecular weight of 299.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 104725895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).