4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine

C11H12N4S — CID 107643432

IUPAC4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
SMILESCSc1ccccc1Nc1ncncc1N
InChIInChI=1S/C11H12N4S/c1-16-10-5-3-2-4-9(10)15-11-8(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyOVJOXORGQRCMPX-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.52
Rot. Bonds3

About 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine

4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine (PubChem CID 107643432) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
PubChem CID107643432
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
SMILESCSc1ccccc1Nc1ncncc1N
InChIInChI=1S/C11H12N4S/c1-16-10-5-3-2-4-9(10)15-11-8(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyOVJOXORGQRCMPX-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-iodophenyl)pyrimidine-4,5-diamine
CID 79918939
4-amino-6-(2-methylsulfanylanilino)pyrimidine-5-carbaldehyde
CID 87198566
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
4-N-(2,6-difluorophenyl)pyrimidine-4,5-diamine
CID 79916614
4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
CID 107643533
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
4-N-(3-bromoquinolin-8-yl)pyrimidine-4,5-diamine
CID 116783115
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine (CID 107643432) is 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine is CSc1ccccc1Nc1ncncc1N.
What is the InChIKey of 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine?
The InChIKey is OVJOXORGQRCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-16-10-5-3-2-4-9(10)15-11-8(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine?
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine has a molecular weight of 232.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 107643432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).