5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide

C19H21F3N6O3 — CID 151222565

IUPAC5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H21F3N6O3/c20-19(21,22)13-9-15(17(23)29)24-11-12(13)14-10-16(27-1-5-30-6-2-27)26-18(25-14)28-3-7-31-8-4-28/h9-11H,1-8H2,(H2,23,29)
InChIKeyNMPHEECKZUYVRU-UHFFFAOYSA-N
MW438.41 g/mol
LogP1.33
Rot. Bonds4

About 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 151222565) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID151222565
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H21F3N6O3/c20-19(21,22)13-9-15(17(23)29)24-11-12(13)14-10-16(27-1-5-30-6-2-27)26-18(25-14)28-3-7-31-8-4-28/h9-11H,1-8H2,(H2,23,29)
InChIKeyNMPHEECKZUYVRU-UHFFFAOYSA-N
XLogP1.33
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
2-[5-[2-morpholin-4-yl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)-2-pyridinyl]-N-propylethanimine
CID 162557595
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 123997428
5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 162557599
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507849
4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
CID 141432896
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide (CID 151222565) is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NMPHEECKZUYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3/c20-19(21,22)13-9-15(17(23)29)24-11-12(13)14-10-16(27-1-5-30-6-2-27)26-18(25-14)28-3-7-31-8-4-28/h9-11H,1-8H2,(H2,23,29).
What are the key properties of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 151222565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).