2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine

C11H9ClN4O — CID 89102641

IUPAC2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(N=O)c1
InChIInChI=1S/C11H9ClN4O/c1-7-6-13-11(12)15-10(7)14-8-3-2-4-9(5-8)16-17/h2-6H,1H3,(H,13,14,15)
InChIKeyBARZGZFGYCPLPM-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine (PubChem CID 89102641) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
PubChem CID89102641
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cccc(N=O)c1
InChIInChI=1S/C11H9ClN4O/c1-7-6-13-11(12)15-10(7)14-8-3-2-4-9(5-8)16-17/h2-6H,1H3,(H,13,14,15)
InChIKeyBARZGZFGYCPLPM-UHFFFAOYSA-N
XLogP3.58
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
CID 129046624
1-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 129046687
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
CID 157289200
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79076256
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine (CID 89102641) is 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1cccc(N=O)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine?
The InChIKey is BARZGZFGYCPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-7-6-13-11(12)15-10(7)14-8-3-2-4-9(5-8)16-17/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine has a molecular weight of 248.67 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine is sourced from PubChem (CID 89102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).