1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide

C16H16F3N3O4 — CID 166220206

IUPAC1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O4/c1-9(10-2-4-11(5-3-10)16(17,18)19)20-13(24)12-8-22(6-7-23)15(26)21-14(12)25/h2-5,8-9,23H,6-7H2,1H3,(H,20,24)(H,21,25,26)/t9-/m1/s1
InChIKeyGDRMZYCOSDKZKI-SECBINFHSA-N
MW371.32 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide

1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide (PubChem CID 166220206) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide
PubChem CID166220206
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O4/c1-9(10-2-4-11(5-3-10)16(17,18)19)20-13(24)12-8-22(6-7-23)15(26)21-14(12)25/h2-5,8-9,23H,6-7H2,1H3,(H,20,24)(H,21,25,26)/t9-/m1/s1
InChIKeyGDRMZYCOSDKZKI-SECBINFHSA-N
XLogP1.04
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide (CID 166220206) is 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide is C[C@@H](NC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is GDRMZYCOSDKZKI-SECBINFHSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-9(10-2-4-11(5-3-10)16(17,18)19)20-13(24)12-8-22(6-7-23)15(26)21-14(12)25/h2-5,8-9,23H,6-7H2,1H3,(H,20,24)(H,21,25,26)/t9-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide?
1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2,4-dioxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).