2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine

C14H20N2 — CID 143824336

IUPAC2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine
SMILESC=C/C(=C\C)C1(C2=NCC=CN2)CCCC1
InChIInChI=1S/C14H20N2/c1-3-12(4-2)14(8-5-6-9-14)13-15-10-7-11-16-13/h3-4,7,10H,1,5-6,8-9,11H2,2H3,(H,15,16)/b12-4+
InChIKeyNMHYIOHWUMXDNB-UUILKARUSA-N
MW216.33 g/mol
LogP3.19
Rot. Bonds3

About 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine

2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine (PubChem CID 143824336) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine
PubChem CID143824336
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine
SMILESC=C/C(=C\C)C1(C2=NCC=CN2)CCCC1
InChIInChI=1S/C14H20N2/c1-3-12(4-2)14(8-5-6-9-14)13-15-10-7-11-16-13/h3-4,7,10H,1,5-6,8-9,11H2,2H3,(H,15,16)/b12-4+
InChIKeyNMHYIOHWUMXDNB-UUILKARUSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine?
The IUPAC name of 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine (CID 143824336) is 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine?
The canonical SMILES for 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine is C=C/C(=C\C)C1(C2=NCC=CN2)CCCC1.
What is the InChIKey of 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine?
The InChIKey is NMHYIOHWUMXDNB-UUILKARUSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12(4-2)14(8-5-6-9-14)13-15-10-7-11-16-13/h3-4,7,10H,1,5-6,8-9,11H2,2H3,(H,15,16)/b12-4+.
What are the key properties of 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine?
2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine has a molecular weight of 216.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 143824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).