N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C20H27N3O2 — CID 70785631

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N(CCC1=CCCCC1)CC1CC1
InChIInChI=1S/C20H27N3O2/c24-19-17(12-21-18(22-19)16-8-9-16)20(25)23(13-15-6-7-15)11-10-14-4-2-1-3-5-14/h4,12,15-16H,1-3,5-11,13H2,(H,21,22,24)
InChIKeyCWIKQRFZTPXIJZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70785631) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70785631
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N(CCC1=CCCCC1)CC1CC1
InChIInChI=1S/C20H27N3O2/c24-19-17(12-21-18(22-19)16-8-9-16)20(25)23(13-15-6-7-15)11-10-14-4-2-1-3-5-14/h4,12,15-16H,1-3,5-11,13H2,(H,21,22,24)
InChIKeyCWIKQRFZTPXIJZ-UHFFFAOYSA-N
XLogP3.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70785631) is N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(c1cnc(C2CC2)[nH]c1=O)N(CCC1=CCCCC1)CC1CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CWIKQRFZTPXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-17(12-21-18(22-19)16-8-9-16)20(25)23(13-15-6-7-15)11-10-14-4-2-1-3-5-14/h4,12,15-16H,1-3,5-11,13H2,(H,21,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-N-(cyclopropylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70785631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).