2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

C12H17N3O4 — CID 62517178

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O4/c16-7-12(3-1-2-4-12)15-10(18)6-8-5-9(17)14-11(19)13-8/h5,16H,1-4,6-7H2,(H,15,18)(H2,13,14,17,19)
InChIKeyNPZRPAQNUJYMNC-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.97
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 62517178) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID62517178
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O4/c16-7-12(3-1-2-4-12)15-10(18)6-8-5-9(17)14-11(19)13-8/h5,16H,1-4,6-7H2,(H,15,18)(H2,13,14,17,19)
InChIKeyNPZRPAQNUJYMNC-UHFFFAOYSA-N
XLogP-0.97
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (CID 62517178) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is NPZRPAQNUJYMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-7-12(3-1-2-4-12)15-10(18)6-8-5-9(17)14-11(19)13-8/h5,16H,1-4,6-7H2,(H,15,18)(H2,13,14,17,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 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-[1-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 62517178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).