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

C11H17N3O4 — CID 43418630

IUPACN-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O4/c1-6(5-15)12-9(16)4-3-8-7(2)13-11(18)14-10(8)17/h6,15H,3-5H2,1-2H3,(H,12,16)(H2,13,14,17,18)
InChIKeyZENHXJWXCQJZGN-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.20
Rot. Bonds5

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

N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 43418630) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID43418630
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O4/c1-6(5-15)12-9(16)4-3-8-7(2)13-11(18)14-10(8)17/h6,15H,3-5H2,1-2H3,(H,12,16)(H2,13,14,17,18)
InChIKeyZENHXJWXCQJZGN-UHFFFAOYSA-N
XLogP-1.20
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.20
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
(2,4-Dihydroxy-6-methyl-5-pyrimidinyl)(2-hydroxy-4-oxo-3-hydroxymethyl-6-methyl-3,4-dihydro-5-pyrimidinyl)methane
CID 129811042
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-cyclopropyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 26014917
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30542638

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 43418630) is N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ZENHXJWXCQJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(5-15)12-9(16)4-3-8-7(2)13-11(18)14-10(8)17/h6,15H,3-5H2,1-2H3,(H,12,16)(H2,13,14,17,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 255.27 g/mol, XLogP of -1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 43418630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).