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

C12H16F3N3S — CID 83190236

IUPACN-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C12H16F3N3S/c1-2-5-16-11-8-6-19-7-9(8)17-10(18-11)3-4-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyFAGPLCQMIBEXAM-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.54
Rot. Bonds5

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

N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190236) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190236
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC NameN-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C12H16F3N3S/c1-2-5-16-11-8-6-19-7-9(8)17-10(18-11)3-4-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyFAGPLCQMIBEXAM-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 15055742
2-Ethyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 44209099
5-fluoro-6-methyl-2-(2-methylpropylsulfanyl)-N-propylpyrimidin-4-amine
CID 14622221
5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045296
N-ethyl-5,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62192889
2-(cyclopentylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65997792
5-fluoro-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65997793
2-(tert-butylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998198
N-ethyl-5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65998199
N-ethyl-5-fluoro-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 65998206
5-fluoro-6-methyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65998215
2-(butan-2-ylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998392

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190236) is N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(CCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is FAGPLCQMIBEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c1-2-5-16-11-8-6-19-7-9(8)17-10(18-11)3-4-12(13,14)15/h2-7H2,1H3,(H,16,17,18).
What are the key properties of N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 291.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).