N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide

C15H21N3O — CID 77082080

IUPACN-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1=CCCCC1
InChIInChI=1S/C15H21N3O/c1-2-6-14-13(10-16-11-18-14)15(19)17-9-12-7-4-3-5-8-12/h7,10-11H,2-6,8-9H2,1H3,(H,17,19)
InChIKeyUFPROMWQEYULCJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide

N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide (PubChem CID 77082080) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide
PubChem CID77082080
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1=CCCCC1
InChIInChI=1S/C15H21N3O/c1-2-6-14-13(10-16-11-18-14)15(19)17-9-12-7-4-3-5-8-12/h7,10-11H,2-6,8-9H2,1H3,(H,17,19)
InChIKeyUFPROMWQEYULCJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 122569344
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122559370
N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
CID 77084278
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 95712658
(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 122565131
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide
CID 56739646
1-(4-butylpyrimidin-5-yl)ethanone
CID 134232380
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109251069
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide (CID 77082080) is N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The InChIKey is UFPROMWQEYULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-6-14-13(10-16-11-18-14)15(19)17-9-12-7-4-3-5-8-12/h7,10-11H,2-6,8-9H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide?
N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77082080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).