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

C11H11ClN4O — CID 133054578

IUPAC6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyOKWZRYNVNLRYPX-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds3

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

6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 133054578) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID133054578
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyOKWZRYNVNLRYPX-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 88570930
6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142394027
2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826975
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 133054578) is 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)cc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is OKWZRYNVNLRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 250.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).