6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine

C11H11ClN4O — CID 11694491

IUPAC6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(Cl)c2N)c1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-3-7(5-8)16-11-9(13)10(12)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyQKTIDFYQHCQLNH-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 11694491) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID11694491
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(Cl)c2N)c1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-3-7(5-8)16-11-9(13)10(12)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyQKTIDFYQHCQLNH-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-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine (CID 11694491) is 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine is COc1cccc(Nc2ncnc(Cl)c2N)c1.
What is the InChIKey of 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is QKTIDFYQHCQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-8-4-2-3-7(5-8)16-11-9(13)10(12)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-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-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 11694491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).