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

C16H19N3 — CID 64693026

IUPACN-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1ccccc1CNc1ncnc2c1CCC2
InChIInChI=1S/C16H19N3/c1-2-12-6-3-4-7-13(12)10-17-16-14-8-5-9-15(14)18-11-19-16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18,19)
InChIKeyONIODNWGFOALEP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.14
Rot. Bonds4

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

N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 64693026) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID64693026
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1ccccc1CNc1ncnc2c1CCC2
InChIInChI=1S/C16H19N3/c1-2-12-6-3-4-7-13(12)10-17-16-14-8-5-9-15(14)18-11-19-16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18,19)
InChIKeyONIODNWGFOALEP-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 64693026) is N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCc1ccccc1CNc1ncnc2c1CCC2.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ONIODNWGFOALEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-12-6-3-4-7-13(12)10-17-16-14-8-5-9-15(14)18-11-19-16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18,19).
What are the key properties of N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 64693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).