N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C10H12F3N3OS — CID 103476353

IUPACN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3OS/c1-14-9-6-3-18-4-7(6)15-8(16-9)2-17-5-10(11,12)13/h2-5H2,1H3,(H,14,15,16)
InChIKeyFEDANOQPJVEQEN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103476353) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103476353
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3OS/c1-14-9-6-3-18-4-7(6)15-8(16-9)2-17-5-10(11,12)13/h2-5H2,1H3,(H,14,15,16)
InChIKeyFEDANOQPJVEQEN-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476357
2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476351
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476310
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191111
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191391
2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192982
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103476164
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136842478
N-methyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351302
N-methyl-2-(1,3-thiazol-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191389
4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103477262

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103476353) is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(COCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is FEDANOQPJVEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-14-9-6-3-18-4-7(6)15-8(16-9)2-17-5-10(11,12)13/h2-5H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103476353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).