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

C16H17N3S — CID 63485547

IUPAC2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)cc2)nc2sccc12
InChIInChI=1S/C16H17N3S/c1-3-9-17-15-13-8-10-20-16(13)19-14(18-15)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyPCSDMJIYQYLESJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.49
Rot. Bonds4

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

2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63485547) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63485547
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)cc2)nc2sccc12
InChIInChI=1S/C16H17N3S/c1-3-9-17-15-13-8-10-20-16(13)19-14(18-15)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyPCSDMJIYQYLESJ-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-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

2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044626
2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63487110
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
6-ethyl-5-methyl-2-(4-methylphenyl)-N-propylpyrimidin-4-amine
CID 63561195
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63485547) is 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(-c2ccc(C)cc2)nc2sccc12.
What is the InChIKey of 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PCSDMJIYQYLESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-9-17-15-13-8-10-20-16(13)19-14(18-15)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63485547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).