N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine

C16H17N5S — CID 86773701

IUPACN-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESc1ccc(NCC2CCN(c3ncnc4sccc34)C2)nc1
InChIInChI=1S/C16H17N5S/c1-2-6-17-14(3-1)18-9-12-4-7-21(10-12)15-13-5-8-22-16(13)20-11-19-15/h1-3,5-6,8,11-12H,4,7,9-10H2,(H,17,18)
InChIKeyXHCVLBQCOOSYHN-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.02
Rot. Bonds4

About N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine

N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 86773701) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID86773701
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESc1ccc(NCC2CCN(c3ncnc4sccc34)C2)nc1
InChIInChI=1S/C16H17N5S/c1-2-6-17-14(3-1)18-9-12-4-7-21(10-12)15-13-5-8-22-16(13)20-11-19-15/h1-3,5-6,8,11-12H,4,7,9-10H2,(H,17,18)
InChIKeyXHCVLBQCOOSYHN-UHFFFAOYSA-N
XLogP3.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-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 N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 86773701) is N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine is c1ccc(NCC2CCN(c3ncnc4sccc34)C2)nc1.
What is the InChIKey of N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is XHCVLBQCOOSYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-6-17-14(3-1)18-9-12-4-7-21(10-12)15-13-5-8-22-16(13)20-11-19-15/h1-3,5-6,8,11-12H,4,7,9-10H2,(H,17,18).
What are the key properties of N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine?
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 311.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 86773701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).