2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide

C21H33N3O2 — CID 166481475

IUPAC2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2cc(=O)[nH]c(C3CCCC3)n2)CCCCCCCCC1
InChIInChI=1S/C21H33N3O2/c1-21(13-9-5-3-2-4-6-10-14-21)24-20(26)17-15-18(25)23-19(22-17)16-11-7-8-12-16/h15-16H,2-14H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyYEIKHAALIHIOCD-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.44
Rot. Bonds3

About 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 166481475) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID166481475
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2cc(=O)[nH]c(C3CCCC3)n2)CCCCCCCCC1
InChIInChI=1S/C21H33N3O2/c1-21(13-9-5-3-2-4-6-10-14-21)24-20(26)17-15-18(25)23-19(22-17)16-11-7-8-12-16/h15-16H,2-14H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyYEIKHAALIHIOCD-UHFFFAOYSA-N
XLogP4.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 166481475) is 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide is CC1(NC(=O)c2cc(=O)[nH]c(C3CCCC3)n2)CCCCCCCCC1.
What is the InChIKey of 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is YEIKHAALIHIOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(13-9-5-3-2-4-6-10-14-21)24-20(26)17-15-18(25)23-19(22-17)16-11-7-8-12-16/h15-16H,2-14H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166481475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).