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

C16H19N3S — CID 83190684

IUPAC2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-3-8-17-15-13-9-20-10-14(13)18-16(19-15)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyLZESBOAVJLYZJH-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.02
Rot. Bonds4

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

2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190684) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190684
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-3-8-17-15-13-9-20-10-14(13)18-16(19-15)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyLZESBOAVJLYZJH-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193396
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(3-ethyl-4-pyridinyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193388
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
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
4-chloro-2-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196766
2-(2-cyclopropylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193524
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190684) is 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(-c2ccccc2C)nc2c1CSC2.
What is the InChIKey of 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is LZESBOAVJLYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-8-17-15-13-9-20-10-14(13)18-16(19-15)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).