(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H18F3N3O2 — CID 95228705

IUPAC(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@H](C)NC(=O)N1
InChIInChI=1S/C16H18F3N3O2/c1-9-13(10(2)21-15(24)20-9)14(23)22(3)8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H2,20,21,24)/t9-/m0/s1
InChIKeyXCVDSVSYXQZNDF-VIFPVBQESA-N
MW341.33 g/mol
LogP2.64
Rot. Bonds3

About (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95228705) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95228705
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@H](C)NC(=O)N1
InChIInChI=1S/C16H18F3N3O2/c1-9-13(10(2)21-15(24)20-9)14(23)22(3)8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H2,20,21,24)/t9-/m0/s1
InChIKeyXCVDSVSYXQZNDF-VIFPVBQESA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95228705) is (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@H](C)NC(=O)N1.
What is the InChIKey of (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XCVDSVSYXQZNDF-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9-13(10(2)21-15(24)20-9)14(23)22(3)8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H2,20,21,24)/t9-/m0/s1.
What are the key properties of (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).