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

C16H19N3 — CID 55121312

IUPACN-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CCCNc2ncnc3c2CCC3)cc1
InChIInChI=1S/C16H19N3/c1-2-6-13(7-3-1)8-5-11-17-16-14-9-4-10-15(14)18-12-19-16/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19)
InChIKeyVFDWVEDTMLOEQI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.01
Rot. Bonds5

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

N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 55121312) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID55121312
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CCCNc2ncnc3c2CCC3)cc1
InChIInChI=1S/C16H19N3/c1-2-6-13(7-3-1)8-5-11-17-16-14-9-4-10-15(14)18-12-19-16/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19)
InChIKeyVFDWVEDTMLOEQI-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106154550
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 55121312) is N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(CCCNc2ncnc3c2CCC3)cc1.
What is the InChIKey of N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is VFDWVEDTMLOEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-6-13(7-3-1)8-5-11-17-16-14-9-4-10-15(14)18-12-19-16/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19).
What are the key properties of N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 55121312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).