N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C11H15N3O4 — CID 55172938

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)C1CC1
InChIInChI=1S/C11H15N3O4/c15-8(6-1-2-6)5-12-9(16)3-7-4-10(17)14-11(18)13-7/h4,6,8,15H,1-3,5H2,(H,12,16)(H2,13,14,17,18)
InChIKeyLMDAIELTOBJPEH-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.51
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 55172938) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID55172938
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)C1CC1
InChIInChI=1S/C11H15N3O4/c15-8(6-1-2-6)5-12-9(16)3-7-4-10(17)14-11(18)13-7/h4,6,8,15H,1-3,5H2,(H,12,16)(H2,13,14,17,18)
InChIKeyLMDAIELTOBJPEH-UHFFFAOYSA-N
XLogP-1.51
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 2149965
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 2149966
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 2149967
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 2149968
6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43415782
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61245622
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 62365630
N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 63294445
6-[[(2-Cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63296766

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 55172938) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is LMDAIELTOBJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8(6-1-2-6)5-12-9(16)3-7-4-10(17)14-11(18)13-7/h4,6,8,15H,1-3,5H2,(H,12,16)(H2,13,14,17,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 253.26 g/mol, XLogP of -1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 55172938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).