N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

C19H21F3N4O2 — CID 136533224

IUPACN,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C19H21F3N4O2/c1-13-11-15(24-18(23-13)19(20,21)22)17(27)25(2)12-14-5-3-4-6-16(14)26-7-9-28-10-8-26/h3-6,11H,7-10,12H2,1-2H3
InChIKeySCMLGZCDDKZFEL-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.91
Rot. Bonds4

About N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 136533224) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID136533224
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C19H21F3N4O2/c1-13-11-15(24-18(23-13)19(20,21)22)17(27)25(2)12-14-5-3-4-6-16(14)26-7-9-28-10-8-26/h3-6,11H,7-10,12H2,1-2H3
InChIKeySCMLGZCDDKZFEL-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 48591350
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832748
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55788714
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31645961
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 136533224) is N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)nc(C(F)(F)F)n1.
What is the InChIKey of N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is SCMLGZCDDKZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-13-11-15(24-18(23-13)19(20,21)22)17(27)25(2)12-14-5-3-4-6-16(14)26-7-9-28-10-8-26/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136533224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).