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

C12H16F3N3OS — CID 103476357

IUPACN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C12H16F3N3OS/c1-2-3-16-11-8-5-20-6-9(8)17-10(18-11)4-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyQFFIKPPSONKKED-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.12
Rot. Bonds6

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

N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103476357) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103476357
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C12H16F3N3OS/c1-2-3-16-11-8-5-20-6-9(8)17-10(18-11)4-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyQFFIKPPSONKKED-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476353
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191111
2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476351
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476514
2-(4-methylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191205
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(3-fluoro-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193280
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103476357) is N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(COCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is QFFIKPPSONKKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-2-3-16-11-8-5-20-6-9(8)17-10(18-11)4-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 307.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103476357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).