6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine

C11H10N4OS — CID 134891752

IUPAC6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine
SMILESCSc1nc(-c2ccccc2)nc(N)c1N=O
InChIInChI=1S/C11H10N4OS/c1-17-11-8(15-16)9(12)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14)
InChIKeyQJICUBFFFJZKHH-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.85
Rot. Bonds3

About 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine

6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine (PubChem CID 134891752) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine
PubChem CID134891752
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine
SMILESCSc1nc(-c2ccccc2)nc(N)c1N=O
InChIInChI=1S/C11H10N4OS/c1-17-11-8(15-16)9(12)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14)
InChIKeyQJICUBFFFJZKHH-UHFFFAOYSA-N
XLogP2.85
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-ethyl-6-methylsulfanyl-2-phenylpyrimidine
CID 176849205
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
CID 14740710
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
methyl (1E)-N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)ethanimidate
CID 15184796
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
4-nitroso-2,6-diphenylpyrimidine
CID 582027
4-amino-2-(2,6-dichloro-4-pyridinyl)-6-methylsulfanylpyrimidine-5-carboxylic acid
CID 170873702
5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 110193640
4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile
CID 25065450

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine (CID 134891752) is 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine is CSc1nc(-c2ccccc2)nc(N)c1N=O.
What is the InChIKey of 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine?
The InChIKey is QJICUBFFFJZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-17-11-8(15-16)9(12)13-10(14-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine?
6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 134891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).