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

C11H13F4N3OS — CID 103476354

IUPACN-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)C(F)F)nc2c1CSC2
InChIInChI=1S/C11H13F4N3OS/c1-16-9-6-3-20-4-7(6)17-8(18-9)2-19-5-11(14,15)10(12)13/h10H,2-5H2,1H3,(H,16,17,18)
InChIKeyROHWQEDYEINKJO-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.68
Rot. Bonds6

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

N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103476354) has the molecular formula C11H13F4N3OS and a molecular weight of 311.30 g/mol. Its IUPAC name is N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103476354
Molecular FormulaC11H13F4N3OS
Molecular Weight311.30 g/mol
Exact Mass311.07
IUPAC NameN-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)C(F)F)nc2c1CSC2
InChIInChI=1S/C11H13F4N3OS/c1-16-9-6-3-20-4-7(6)17-8(18-9)2-19-5-11(14,15)10(12)13/h10H,2-5H2,1H3,(H,16,17,18)
InChIKeyROHWQEDYEINKJO-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
CID 79968936
N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189902
N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190236
N-methyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190770
2-(3,3,3-Trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190864
2-(2,2,2-Trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190868
N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190897
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191096
N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191505
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150485
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150486
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150487

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103476354) is N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(COCC(F)(F)C(F)F)nc2c1CSC2.
What is the InChIKey of N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is ROHWQEDYEINKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3OS/c1-16-9-6-3-20-4-7(6)17-8(18-9)2-19-5-11(14,15)10(12)13/h10H,2-5H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 311.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103476354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).