4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine

C12H14N4S — CID 80815106

IUPAC4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCC1c2ccsc2CCN1c1ccnc(N)n1
InChIInChI=1S/C12H14N4S/c1-8-9-4-7-17-10(9)3-6-16(8)11-2-5-14-12(13)15-11/h2,4-5,7-8H,3,6H2,1H3,(H2,13,14,15)
InChIKeyQWWSOHZWNHXQSF-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.24
Rot. Bonds1

About 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine

4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 80815106) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
PubChem CID80815106
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCC1c2ccsc2CCN1c1ccnc(N)n1
InChIInChI=1S/C12H14N4S/c1-8-9-4-7-17-10(9)3-6-16(8)11-2-5-14-12(13)15-11/h2,4-5,7-8H,3,6H2,1H3,(H2,13,14,15)
InChIKeyQWWSOHZWNHXQSF-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (CID 80815106) is 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is CC1c2ccsc2CCN1c1ccnc(N)n1.
What is the InChIKey of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is QWWSOHZWNHXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-9-4-7-17-10(9)3-6-16(8)11-2-5-14-12(13)15-11/h2,4-5,7-8H,3,6H2,1H3,(H2,13,14,15).
What are the key properties of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 80815106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).