2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

C12H15ClN6S — CID 80978525

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCCc1nc(Cl)c(C)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C12H15ClN6S/c1-3-4-9-18-10(13)6(2)11(19-9)20-12-16-7(14)5-8(15)17-12/h5H,3-4H2,1-2H3,(H4,14,15,16,17)
InChIKeyYQZKFOJUZKEURD-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.50
Rot. Bonds4

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 80978525) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID80978525
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCCc1nc(Cl)c(C)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C12H15ClN6S/c1-3-4-9-18-10(13)6(2)11(19-9)20-12-16-7(14)5-8(15)17-12/h5H,3-4H2,1-2H3,(H4,14,15,16,17)
InChIKeyYQZKFOJUZKEURD-UHFFFAOYSA-N
XLogP2.50
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
CID 80978202
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
4-chloro-6-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-2-propylpyrimidine
CID 80971056
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
2-[(3,6-dichloro-1,2,4-triazin-5-yl)sulfanyl]pyrimidine-4,6-diamine
CID 81036406
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 80978525) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is CCCc1nc(Cl)c(C)c(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is YQZKFOJUZKEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c1-3-4-9-18-10(13)6(2)11(19-9)20-12-16-7(14)5-8(15)17-12/h5H,3-4H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 310.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80978525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).