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

C14H19ClN4S — CID 103321359

IUPAC2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C14H19ClN4S/c1-9(2)19-5-3-10(8-19)7-16-12-11-4-6-20-13(11)18-14(15)17-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyWLWPCLFKLJEOIL-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.49
Rot. Bonds4

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

2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321359) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321359
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C14H19ClN4S/c1-9(2)19-5-3-10(8-19)7-16-12-11-4-6-20-13(11)18-14(15)17-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyWLWPCLFKLJEOIL-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[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-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321434
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325288
2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
2-N,5-dimethyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80816729
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321359) is 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CC(C)N1CCC(CNc2nc(Cl)nc3sccc23)C1.
What is the InChIKey of 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WLWPCLFKLJEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-9(2)19-5-3-10(8-19)7-16-12-11-4-6-20-13(11)18-14(15)17-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).