N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C18H19F3N4O4 — CID 142592633

IUPACN-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2N2CCOCC2)cc1OC
InChIInChI=1S/C18H19F3N4O4/c1-27-13-4-3-11(9-14(13)28-2)23-16(26)12-10-22-17(18(19,20)21)24-15(12)25-5-7-29-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,23,26)
InChIKeyUCCHUTIXGGVYOM-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.60
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 142592633) has the molecular formula C18H19F3N4O4 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID142592633
Molecular FormulaC18H19F3N4O4
Molecular Weight412.37 g/mol
Exact Mass412.14
IUPAC NameN-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2N2CCOCC2)cc1OC
InChIInChI=1S/C18H19F3N4O4/c1-27-13-4-3-11(9-14(13)28-2)23-16(26)12-10-22-17(18(19,20)21)24-15(12)25-5-7-29-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,23,26)
InChIKeyUCCHUTIXGGVYOM-UHFFFAOYSA-N
XLogP2.60
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 142592633) is N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2N2CCOCC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is UCCHUTIXGGVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4/c1-27-13-4-3-11(9-14(13)28-2)23-16(26)12-10-22-17(18(19,20)21)24-15(12)25-5-7-29-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).