N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine

C14H23N3 — CID 175544883

IUPACN-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine
SMILESCCC/C=C/C1=NC(NC2CCCC2)CC=N1
InChIInChI=1S/C14H23N3/c1-2-3-4-9-13-15-11-10-14(17-13)16-12-7-5-6-8-12/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3/b9-4+
InChIKeyNCOHOUOZXDWDTF-RUDMXATFSA-N
MW233.36 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine

N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine (PubChem CID 175544883) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine
PubChem CID175544883
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine
SMILESCCC/C=C/C1=NC(NC2CCCC2)CC=N1
InChIInChI=1S/C14H23N3/c1-2-3-4-9-13-15-11-10-14(17-13)16-12-7-5-6-8-12/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3/b9-4+
InChIKeyNCOHOUOZXDWDTF-RUDMXATFSA-N
XLogP3.07
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine (CID 175544883) is N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine is CCC/C=C/C1=NC(NC2CCCC2)CC=N1.
What is the InChIKey of N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine?
The InChIKey is NCOHOUOZXDWDTF-RUDMXATFSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-4-9-13-15-11-10-14(17-13)16-12-7-5-6-8-12/h4,9,11-12,14,16H,2-3,5-8,10H2,1H3/b9-4+.
What are the key properties of N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine?
N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(E)-pent-1-enyl]-4,5-dihydropyrimidin-4-amine is sourced from PubChem (CID 175544883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).