N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H15N3O4 — CID 115362805

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-10(2,5-14)4-12-7(15)6-3-11-9(17)13-8(6)16/h3,14H,4-5H2,1-2H3,(H,12,15)(H2,11,13,16,17)
InChIKeyONQJFDHDZCSPOD-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.19
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 115362805) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID115362805
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-10(2,5-14)4-12-7(15)6-3-11-9(17)13-8(6)16/h3,14H,4-5H2,1-2H3,(H,12,15)(H2,11,13,16,17)
InChIKeyONQJFDHDZCSPOD-UHFFFAOYSA-N
XLogP-1.19
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 115362805) is N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC(C)(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ONQJFDHDZCSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,5-14)4-12-7(15)6-3-11-9(17)13-8(6)16/h3,14H,4-5H2,1-2H3,(H,12,15)(H2,11,13,16,17).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 115362805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).