2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide

C17H18F3N3O3 — CID 136982656

IUPAC2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
SMILESCOCc1nc(C(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-16(2,10-4-6-11(7-5-10)17(18,19)20)23-15(25)12-8-14(24)22-13(21-12)9-26-3/h4-8H,9H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyQXQOCOXAYKXPSH-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.60
Rot. Bonds5

About 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide

2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982656) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
PubChem CID136982656
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
SMILESCOCc1nc(C(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-16(2,10-4-6-11(7-5-10)17(18,19)20)23-15(25)12-8-14(24)22-13(21-12)9-26-3/h4-8H,9H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyQXQOCOXAYKXPSH-UHFFFAOYSA-N
XLogP2.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide (CID 136982656) is 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide is COCc1nc(C(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is QXQOCOXAYKXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-16(2,10-4-6-11(7-5-10)17(18,19)20)23-15(25)12-8-14(24)22-13(21-12)9-26-3/h4-8H,9H2,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide?
2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).