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

C15H17N3 — CID 62190657

IUPAC2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)c2c(n1)CCC2
InChIInChI=1S/C15H17N3/c1-10-5-2-3-6-11(10)9-14-17-13-8-4-7-12(13)15(16)18-14/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17,18)
InChIKeyCRKMZDGYENOHFX-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.45
Rot. Bonds2

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

2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62190657) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62190657
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)c2c(n1)CCC2
InChIInChI=1S/C15H17N3/c1-10-5-2-3-6-11(10)9-14-17-13-8-4-7-12(13)15(16)18-14/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17,18)
InChIKeyCRKMZDGYENOHFX-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62190657) is 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccccc1Cc1nc(N)c2c(n1)CCC2.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CRKMZDGYENOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-5-2-3-6-11(10)9-14-17-13-8-4-7-12(13)15(16)18-14/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62190657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).