2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H13F3N4S — CID 114565395

IUPAC2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2ccsc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4S/c1-2-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8-3-5-20-7-8/h3,5-7H,2,4H2,1H3,(H2,16,17,18,19)
InChIKeyKBDJHECUZYJPCV-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.12
Rot. Bonds5

About 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565395) has the molecular formula C12H13F3N4S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565395
Molecular FormulaC12H13F3N4S
Molecular Weight302.32 g/mol
Exact Mass302.08
IUPAC Name2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2ccsc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4S/c1-2-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8-3-5-20-7-8/h3,5-7H,2,4H2,1H3,(H2,16,17,18,19)
InChIKeyKBDJHECUZYJPCV-UHFFFAOYSA-N
XLogP4.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565961
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
4-N-(4-methylsulfanylbutyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565870
4-N-(3-methylsulfinylpropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565866
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565395) is 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(Nc2ccsc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KBDJHECUZYJPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-2-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8-3-5-20-7-8/h3,5-7H,2,4H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 302.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).