4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine

C13H15ClN4O — CID 82455360

IUPAC4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
SMILESCOc1nc(C)nc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H15ClN4O/c1-8-17-12(11(15)13(18-8)19-2)16-7-9-3-5-10(14)6-4-9/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUEDWOHYHYCMZOM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.64
Rot. Bonds4

About 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine

4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine (PubChem CID 82455360) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
PubChem CID82455360
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
SMILESCOc1nc(C)nc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H15ClN4O/c1-8-17-12(11(15)13(18-8)19-2)16-7-9-3-5-10(14)6-4-9/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUEDWOHYHYCMZOM-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458569
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455350
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
CID 177249429
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 22640045
methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
CID 158779478

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine (CID 82455360) is 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine is COc1nc(C)nc(NCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
The InChIKey is UEDWOHYHYCMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-17-12(11(15)13(18-8)19-2)16-7-9-3-5-10(14)6-4-9/h3-6H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine?
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine has a molecular weight of 278.74 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).