2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C14H12F3N5S — CID 138046013

IUPAC2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cnc(C(F)(F)F)nc2)c2ccsc2n1
InChIInChI=1S/C14H12F3N5S/c1-2-10-21-11(9-3-4-23-12(9)22-10)18-5-8-6-19-13(20-7-8)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,21,22)
InChIKeyNUXCVYQYJSREMQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 138046013) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID138046013
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cnc(C(F)(F)F)nc2)c2ccsc2n1
InChIInChI=1S/C14H12F3N5S/c1-2-10-21-11(9-3-4-23-12(9)22-10)18-5-8-6-19-13(20-7-8)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,21,22)
InChIKeyNUXCVYQYJSREMQ-UHFFFAOYSA-N
XLogP3.67
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404165
5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
CID 133403805
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133403079
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 138046013) is 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2cnc(C(F)(F)F)nc2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NUXCVYQYJSREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-2-10-21-11(9-3-4-23-12(9)22-10)18-5-8-6-19-13(20-7-8)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,21,22).
What are the key properties of 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 339.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138046013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).