N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C12H19N3O4 — CID 43417951

IUPACN-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-3-8(6-16)14-10(17)5-4-9-7(2)13-12(19)15-11(9)18/h8,16H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18,19)
InChIKeyQLPSQQSGZFIXML-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.81
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 43417951) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID43417951
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-3-8(6-16)14-10(17)5-4-9-7(2)13-12(19)15-11(9)18/h8,16H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18,19)
InChIKeyQLPSQQSGZFIXML-UHFFFAOYSA-N
XLogP-0.81
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N3,N5-bis(2-hydroxypropyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 377032
5,5'-Methylenebis[(2-hydroxyethyl)-3,6-dimethyluracil]
CID 3110024
N-[(2R)-1-hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 447381
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726362
N-(3,3-difluoro-2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 103769787
N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 104862870
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 107482611
N-cyclopentyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 40104739
5-(3-Aminopropyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 57879188
N-[(2R)-3-methylbutan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 40104703
N-[(2S)-3-methylbutan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 40104705
N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 42930049

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 43417951) is N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is CCC(CO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QLPSQQSGZFIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-8(6-16)14-10(17)5-4-9-7(2)13-12(19)15-11(9)18/h8,16H,3-6H2,1-2H3,(H,14,17)(H2,13,15,18,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 269.30 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 43417951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).