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

C17H21N3S — CID 83193396

IUPAC2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)nc2c1CSC2
InChIInChI=1S/C17H21N3S/c1-4-7-18-16-14-9-21-10-15(14)19-17(20-16)13-8-11(2)5-6-12(13)3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,19,20)
InChIKeySKKVYXUFIQKXRR-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.33
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193396) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193396
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)nc2c1CSC2
InChIInChI=1S/C17H21N3S/c1-4-7-18-16-14-9-21-10-15(14)19-17(20-16)13-8-11(2)5-6-12(13)3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,19,20)
InChIKeySKKVYXUFIQKXRR-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105410512
2-(3-fluoro-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193280
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(3-ethyl-4-pyridinyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193388
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(2,5-dimethylphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203197
2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193253
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190461

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193396) is 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(-c2cc(C)ccc2C)nc2c1CSC2.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SKKVYXUFIQKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-7-18-16-14-9-21-10-15(14)19-17(20-16)13-8-11(2)5-6-12(13)3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 299.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).