N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

C12H19N3O3 — CID 54917242

IUPACN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-10(2)15(7-4-8-16)11(17)9-14-6-3-5-13-12(14)18/h3,5-6,10,16H,4,7-9H2,1-2H3
InChIKeyFKWXNNPEIGSQGI-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.14
Rot. Bonds6

About N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 54917242) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID54917242
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-10(2)15(7-4-8-16)11(17)9-14-6-3-5-13-12(14)18/h3,5-6,10,16H,4,7-9H2,1-2H3
InChIKeyFKWXNNPEIGSQGI-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 54917242) is N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is FKWXNNPEIGSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10(2)15(7-4-8-16)11(17)9-14-6-3-5-13-12(14)18/h3,5-6,10,16H,4,7-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 253.30 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54917242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).