2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C17H15F3N4S — CID 146234492

IUPAC2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1CNc1nc(NC2CC2)nc2ccsc12
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-4-2-1-3-10(12)9-21-15-14-13(7-8-25-14)23-16(24-15)22-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,21,22,23,24)
InChIKeyYJERFCQHXJEOMT-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.90
Rot. Bonds5

About 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 146234492) has the molecular formula C17H15F3N4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID146234492
Molecular FormulaC17H15F3N4S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1CNc1nc(NC2CC2)nc2ccsc12
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-4-2-1-3-10(12)9-21-15-14-13(7-8-25-14)23-16(24-15)22-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,21,22,23,24)
InChIKeyYJERFCQHXJEOMT-UHFFFAOYSA-N
XLogP4.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-tert-butyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234446
2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 135240154
4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216807
4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 170372930
4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 135256958
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 135240143
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
methyl 5-chloro-2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxylate
CID 58220874
2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234493
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 59242543
2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 162653875

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 146234492) is 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)c1ccccc1CNc1nc(NC2CC2)nc2ccsc12.
What is the InChIKey of 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YJERFCQHXJEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4S/c18-17(19,20)12-4-2-1-3-10(12)9-21-15-14-13(7-8-25-14)23-16(24-15)22-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,21,22,23,24).
What are the key properties of 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 364.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 146234492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).