4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C16H23N5S — CID 141402801

IUPAC4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20)
InChIKeyWHYFVAADXMMFHS-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.44
Rot. Bonds6

About 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 141402801) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID141402801
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20)
InChIKeyWHYFVAADXMMFHS-UHFFFAOYSA-N
XLogP2.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 141402801) is 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1.
What is the InChIKey of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is WHYFVAADXMMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20).
What are the key properties of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 317.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 141402801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).