N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C11H12F3N3S — CID 62189011

IUPACN-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc2sccc12
InChIInChI=1S/C11H12F3N3S/c1-2-4-15-9-7-3-5-18-10(7)17-8(16-9)6-11(12,13)14/h3,5H,2,4,6H2,1H3,(H,15,16,17)
InChIKeyGWALPCYDMKSOJW-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.62
Rot. Bonds4

About N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189011) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189011
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC NameN-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc2sccc12
InChIInChI=1S/C11H12F3N3S/c1-2-4-15-9-7-3-5-18-10(7)17-8(16-9)6-11(12,13)14/h3,5H,2,4,6H2,1H3,(H,15,16,17)
InChIKeyGWALPCYDMKSOJW-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62189011) is N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CC(F)(F)F)nc2sccc12.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GWALPCYDMKSOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-2-4-15-9-7-3-5-18-10(7)17-8(16-9)6-11(12,13)14/h3,5H,2,4,6H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).