2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H13N3S — CID 62202099

IUPAC2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccsc1-c1nc(N)c2c(n1)CCC2
InChIInChI=1S/C12H13N3S/c1-7-5-6-16-10(7)12-14-9-4-2-3-8(9)11(13)15-12/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyGIZVCROIFVAPGJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62202099) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62202099
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccsc1-c1nc(N)c2c(n1)CCC2
InChIInChI=1S/C12H13N3S/c1-7-5-6-16-10(7)12-14-9-4-2-3-8(9)11(13)15-12/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyGIZVCROIFVAPGJ-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62202099) is 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccsc1-c1nc(N)c2c(n1)CCC2.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GIZVCROIFVAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-7-5-6-16-10(7)12-14-9-4-2-3-8(9)11(13)15-12/h5-6H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 231.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62202099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).