2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H17N3S — CID 83191076

IUPAC2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCC(C)CCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C11H17N3S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyUIFSXLABFANDSZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.39
Rot. Bonds3

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

2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191076) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191076
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCC(C)CCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C11H17N3S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyUIFSXLABFANDSZ-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 44209099
2-(Tert-butylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997785
2-(Butan-2-ylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65998178
5-Fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66000567
2-(Cyclopentylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000771
5-Fluoro-6-methyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638747
5-fluoro-N,6-dimethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638968
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191076) is 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CC(C)CCc1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is UIFSXLABFANDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 223.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).