N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide

C9H10F3N3O4 — CID 107483357

IUPACN-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(1-2-16)7(18)5-3-6(17)14-8(19)13-5/h3,16H,1-2,4H2,(H2,13,14,17,19)
InChIKeyNEZMUVJYHDQSSH-UHFFFAOYSA-N
MW281.19 g/mol
LogP-0.94
Rot. Bonds4

About N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide

N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 107483357) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide
PubChem CID107483357
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC NameN-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(1-2-16)7(18)5-3-6(17)14-8(19)13-5/h3,16H,1-2,4H2,(H2,13,14,17,19)
InChIKeyNEZMUVJYHDQSSH-UHFFFAOYSA-N
XLogP-0.94
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide (CID 107483357) is N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide is O=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is NEZMUVJYHDQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(1-2-16)7(18)5-3-6(17)14-8(19)13-5/h3,16H,1-2,4H2,(H2,13,14,17,19).
What are the key properties of N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 281.19 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 107483357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).