2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H25N3O3 — CID 136698862

IUPAC2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCC(O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-6-7-10(19)8-16-12(20)11-9(2)17-14(15(3,4)5)18-13(11)21/h10,19H,6-8H2,1-5H3,(H,16,20)(H,17,18,21)
InChIKeyHEOSNGNUFWPJBC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.27
Rot. Bonds5

About 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136698862) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136698862
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCC(O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-6-7-10(19)8-16-12(20)11-9(2)17-14(15(3,4)5)18-13(11)21/h10,19H,6-8H2,1-5H3,(H,16,20)(H,17,18,21)
InChIKeyHEOSNGNUFWPJBC-UHFFFAOYSA-N
XLogP1.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-oxo-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 136689244
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136797849
5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 135971323
2-cyclopropyl-N-(1-hydroxybutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136035859
N-(4-hydroxycyclohexyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136062319
5-(3-hydroxypiperidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062332
5-(4-hydroxypiperidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062335
2-cyclopropyl-N-(2-hydroxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136069206
N-(2-hydroxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136069207
2-cyclopropyl-N-(2-hydroxycyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136070511
N-(2-hydroxycyclohexyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136070519
N-(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-N-propyl-1H-pyrimidine-5-carboxamide
CID 136079224

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136698862) is 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCCC(O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HEOSNGNUFWPJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-6-7-10(19)8-16-12(20)11-9(2)17-14(15(3,4)5)18-13(11)21/h10,19H,6-8H2,1-5H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136698862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).