2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine

C10H9ClF3N3S — CID 103321956

IUPAC2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1nc(Cl)nc2sccc12
InChIInChI=1S/C10H9ClF3N3S/c1-17(4-3-10(12,13)14)7-6-2-5-18-8(6)16-9(11)15-7/h2,5H,3-4H2,1H3
InChIKeyBCYWQAHOAHVISL-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321956) has the molecular formula C10H9ClF3N3S and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321956
Molecular FormulaC10H9ClF3N3S
Molecular Weight295.72 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1nc(Cl)nc2sccc12
InChIInChI=1S/C10H9ClF3N3S/c1-17(4-3-10(12,13)14)7-6-2-5-18-8(6)16-9(11)15-7/h2,5H,3-4H2,1H3
InChIKeyBCYWQAHOAHVISL-UHFFFAOYSA-N
XLogP3.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)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-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
CID 103322493
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 102751324
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103321124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321956) is 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine is CN(CCC(F)(F)F)c1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BCYWQAHOAHVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3S/c1-17(4-3-10(12,13)14)7-6-2-5-18-8(6)16-9(11)15-7/h2,5H,3-4H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.72 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).