N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H21N3O2 — CID 136890080

IUPACN-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-9-12(13(18)16-10(2)15-9)14(19)17-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyJBJCGMDYHYKIIM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds2

About N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136890080) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136890080
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-9-12(13(18)16-10(2)15-9)14(19)17-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyJBJCGMDYHYKIIM-UHFFFAOYSA-N
XLogP1.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 66522617
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244
2-tert-butyl-4-methyl-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 137127732
N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137146558
N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 3728354

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136890080) is N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCCCC2)c(=O)[nH]1.
What is the InChIKey of N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JBJCGMDYHYKIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-12(13(18)16-10(2)15-9)14(19)17-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136890080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).