4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H13F3N4S — CID 103326605

IUPAC4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)nc2sccc12
InChIInChI=1S/C11H13F3N4S/c1-6(2)18(5-11(12,13)14)8-7-3-4-19-9(7)17-10(15)16-8/h3-4,6H,5H2,1-2H3,(H2,15,16,17)
InChIKeyXBBWHABDECMGGG-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.05
Rot. Bonds3

About 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326605) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326605
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)nc2sccc12
InChIInChI=1S/C11H13F3N4S/c1-6(2)18(5-11(12,13)14)8-7-3-4-19-9(7)17-10(15)16-8/h3-4,6H,5H2,1-2H3,(H2,15,16,17)
InChIKeyXBBWHABDECMGGG-UHFFFAOYSA-N
XLogP3.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327502
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335528
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757440
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103326605) is 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC(C)N(CC(F)(F)F)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XBBWHABDECMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-6(2)18(5-11(12,13)14)8-7-3-4-19-9(7)17-10(15)16-8/h3-4,6H,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).