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

C16H19N3 — CID 62202448

IUPAC2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(C)c(-c2nc(N)c3c(n2)CCC3)c(C)c1
InChIInChI=1S/C16H19N3/c1-9-7-10(2)14(11(3)8-9)16-18-13-6-4-5-12(13)15(17)19-16/h7-8H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyDCEBCRBWLBXZQC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.14
Rot. Bonds1

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

2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62202448) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62202448
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(C)c(-c2nc(N)c3c(n2)CCC3)c(C)c1
InChIInChI=1S/C16H19N3/c1-9-7-10(2)14(11(3)8-9)16-18-13-6-4-5-12(13)15(17)19-16/h7-8H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyDCEBCRBWLBXZQC-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62202448) is 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cc(C)c(-c2nc(N)c3c(n2)CCC3)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DCEBCRBWLBXZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-9-7-10(2)14(11(3)8-9)16-18-13-6-4-5-12(13)15(17)19-16/h7-8H,4-6H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62202448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).