4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C19H21F3N4O4 — CID 175938392

IUPAC4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cc2nc(C(F)(F)F)nc(N3CCOCC3)c2C(N)=O)c(OC)c1
InChIInChI=1S/C19H21F3N4O4/c1-28-12-4-3-11(14(10-12)29-2)9-13-15(16(23)27)17(26-5-7-30-8-6-26)25-18(24-13)19(20,21)22/h3-4,10H,5-9H2,1-2H3,(H2,23,27)
InChIKeyLZWDBGGSNBVEDR-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.04
Rot. Bonds6

About 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 175938392) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID175938392
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Name4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cc2nc(C(F)(F)F)nc(N3CCOCC3)c2C(N)=O)c(OC)c1
InChIInChI=1S/C19H21F3N4O4/c1-28-12-4-3-11(14(10-12)29-2)9-13-15(16(23)27)17(26-5-7-30-8-6-26)25-18(24-13)19(20,21)22/h3-4,10H,5-9H2,1-2H3,(H2,23,27)
InChIKeyLZWDBGGSNBVEDR-UHFFFAOYSA-N
XLogP2.04
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 175938392) is 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(Cc2nc(C(F)(F)F)nc(N3CCOCC3)c2C(N)=O)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is LZWDBGGSNBVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-28-12-4-3-11(14(10-12)29-2)9-13-15(16(23)27)17(26-5-7-30-8-6-26)25-18(24-13)19(20,21)22/h3-4,10H,5-9H2,1-2H3,(H2,23,27).
What are the key properties of 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methyl]-6-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 175938392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).