N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3 — CID 62832435

IUPACN-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cccc(CCNc2ncnc3c2CCC3)c1
InChIInChI=1S/C16H19N3/c1-12-4-2-5-13(10-12)8-9-17-16-14-6-3-7-15(14)18-11-19-16/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,18,19)
InChIKeyCUCKRRNHZNZWFM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62832435) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62832435
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cccc(CCNc2ncnc3c2CCC3)c1
InChIInChI=1S/C16H19N3/c1-12-4-2-5-13(10-12)8-9-17-16-14-6-3-7-15(14)18-11-19-16/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,18,19)
InChIKeyCUCKRRNHZNZWFM-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62832435) is N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cccc(CCNc2ncnc3c2CCC3)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CUCKRRNHZNZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-4-2-5-13(10-12)8-9-17-16-14-6-3-7-15(14)18-11-19-16/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62832435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).