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

C14H16N4S — CID 83190776

IUPAC2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1cnccc1-c1nc2c(c(NC)n1)CSC2
InChIInChI=1S/C14H16N4S/c1-3-9-6-16-5-4-10(9)14-17-12-8-19-7-11(12)13(15-2)18-14/h4-6H,3,7-8H2,1-2H3,(H,15,17,18)
InChIKeyLQJUBWBPSGTIJD-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.89
Rot. Bonds3

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

2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190776) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190776
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1cnccc1-c1nc2c(c(NC)n1)CSC2
InChIInChI=1S/C14H16N4S/c1-3-9-6-16-5-4-10(9)14-17-12-8-19-7-11(12)13(15-2)18-14/h4-6H,3,7-8H2,1-2H3,(H,15,17,18)
InChIKeyLQJUBWBPSGTIJD-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190776) is 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCc1cnccc1-c1nc2c(c(NC)n1)CSC2.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is LQJUBWBPSGTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-9-6-16-5-4-10(9)14-17-12-8-19-7-11(12)13(15-2)18-14/h4-6H,3,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 272.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).