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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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).