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

C11H17N3O4 — CID 43418292

IUPACN-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)O
InChIInChI=1S/C11H17N3O4/c1-6(15)5-12-9(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)
InChIKeyQRKDBBIGRWZMOX-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.20
Rot. Bonds5

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

N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 43418292) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID43418292
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)O
InChIInChI=1S/C11H17N3O4/c1-6(15)5-12-9(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)
InChIKeyQRKDBBIGRWZMOX-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 43418292) is N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QRKDBBIGRWZMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(15)5-12-9(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-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(2-hydroxypropyl)-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-(2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 43418292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).