2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C12H19N3O4 — CID 54916234

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-8(2)15(4-3-5-16)11(18)7-9-6-10(17)14-12(19)13-9/h6,8,16H,3-5,7H2,1-2H3,(H2,13,14,17,19)
InChIKeyMVEQRIDKQYBAMC-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.77
Rot. Bonds6

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 54916234) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID54916234
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-8(2)15(4-3-5-16)11(18)7-9-6-10(17)14-12(19)13-9/h6,8,16H,3-5,7H2,1-2H3,(H2,13,14,17,19)
InChIKeyMVEQRIDKQYBAMC-UHFFFAOYSA-N
XLogP-0.77
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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-(3-ethoxypropyl)acetamide
CID 2149971
6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149952
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
1-(3-Hydroxypropyl)-6-methylpyrimidine-2,4-dione
CID 24848831
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 107482929
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483405
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114153129
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
6-[2-[2-Hydroxyethyl(propan-2-yl)amino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689745

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 54916234) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is MVEQRIDKQYBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)15(4-3-5-16)11(18)7-9-6-10(17)14-12(19)13-9/h6,8,16H,3-5,7H2,1-2H3,(H2,13,14,17,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 269.30 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54916234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).