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

C15H18N4S — CID 83189907

IUPACN-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2cccnc2)nc2c1CSC2
InChIInChI=1S/C15H18N4S/c1-2-5-17-15-12-9-20-10-13(12)18-14(19-15)7-11-4-3-6-16-8-11/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,18,19)
InChIKeyOSSQZTRLUUQZMK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.03
Rot. Bonds5

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

N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83189907) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83189907
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2cccnc2)nc2c1CSC2
InChIInChI=1S/C15H18N4S/c1-2-5-17-15-12-9-20-10-13(12)18-14(19-15)7-11-4-3-6-16-8-11/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,18,19)
InChIKeyOSSQZTRLUUQZMK-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191304
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191111
2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190335
2-(3-ethyl-4-pyridinyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193388
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66300576
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190461
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684
2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193396

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83189907) is N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(Cc2cccnc2)nc2c1CSC2.
What is the InChIKey of N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is OSSQZTRLUUQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-5-17-15-12-9-20-10-13(12)18-14(19-15)7-11-4-3-6-16-8-11/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83189907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).