N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide

C12H17N3O3 — CID 71807566

IUPACN-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide
SMILESCOc1ncc(NC(=O)C2CCCC2)c(OC)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-9(7-13-12(15-11)18-2)14-10(16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyQELNPIAKWSNGJI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.62
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide

N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide (PubChem CID 71807566) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide
PubChem CID71807566
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide
SMILESCOc1ncc(NC(=O)C2CCCC2)c(OC)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-9(7-13-12(15-11)18-2)14-10(16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyQELNPIAKWSNGJI-UHFFFAOYSA-N
XLogP1.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132007009
N-(2,4-dimethoxypyrimidin-5-yl)propionamide
CID 71807563
N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 71807603
4-Methoxy-5-acetamidopyrimidine
CID 126971276
N-(2-methoxypyrimidin-5-yl)cyclopentanecarboxamide
CID 71799723
N-(2,4-dimethoxypyrimidin-5-yl)isobutyramide
CID 71807565
N-(2,4-Diethoxypyrimidin-5-YL)propanamide
CID 71807604
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
1-(4-Methoxypyrimidin-5-yl)-3-(3-methylcyclopentyl)urea
CID 121515842
1-(4-Methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea
CID 126774002
N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide
CID 136520700
(4S)-N-(4-methoxypyrimidin-5-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99836013

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide (CID 71807566) is N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide is COc1ncc(NC(=O)C2CCCC2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide?
The InChIKey is QELNPIAKWSNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-9(7-13-12(15-11)18-2)14-10(16)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 71807566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).