2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

C17H19N3S — CID 63485368

IUPAC2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2C)nc2sccc12
InChIInChI=1S/C17H19N3S/c1-3-9-18-16-14-8-10-21-17(14)20-15(19-16)11-13-7-5-4-6-12(13)2/h4-8,10H,3,9,11H2,1-2H3,(H,18,19,20)
InChIKeyMGHCEJOIQVOSFX-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.41
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63485368) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63485368
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2C)nc2sccc12
InChIInChI=1S/C17H19N3S/c1-3-9-18-16-14-8-10-21-17(14)20-15(19-16)11-13-7-5-4-6-12(13)2/h4-8,10H,3,9,11H2,1-2H3,(H,18,19,20)
InChIKeyMGHCEJOIQVOSFX-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-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

N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63485368) is 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(Cc2ccccc2C)nc2sccc12.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MGHCEJOIQVOSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-9-18-16-14-8-10-21-17(14)20-15(19-16)11-13-7-5-4-6-12(13)2/h4-8,10H,3,9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63485368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).