5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine

C16H21N3S — CID 175747429

IUPAC5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine
SMILESCCC(CC)Sc1nc(Nc2ccccc2)ncc1C
InChIInChI=1S/C16H21N3S/c1-4-14(5-2)20-15-12(3)11-17-16(19-15)18-13-9-7-6-8-10-13/h6-11,14H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyIGLXBLVVEFRMQG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.81
Rot. Bonds6

About 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine

5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine (PubChem CID 175747429) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine
PubChem CID175747429
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine
SMILESCCC(CC)Sc1nc(Nc2ccccc2)ncc1C
InChIInChI=1S/C16H21N3S/c1-4-14(5-2)20-15-12(3)11-17-16(19-15)18-13-9-7-6-8-10-13/h6-11,14H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyIGLXBLVVEFRMQG-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine 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

carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
5-chloro-6-methyl-N-phenylquinazolin-2-amine
CID 70864218
4-N-(dimethylphosphoryloxymethyl)-5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 59372570
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
CID 172854912
CID 172854912
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
N-[[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-2-methylprop-2-enamide
CID 174897279

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine (CID 175747429) is 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine is CCC(CC)Sc1nc(Nc2ccccc2)ncc1C.
What is the InChIKey of 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine?
The InChIKey is IGLXBLVVEFRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-4-14(5-2)20-15-12(3)11-17-16(19-15)18-13-9-7-6-8-10-13/h6-11,14H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine?
5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine has a molecular weight of 287.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 175747429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).