[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea

C19H22F3N7O3 — CID 141438349

IUPAC[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C19H22F3N7O3/c20-19(21,22)16-12(1-2-14(25-16)26-17(23)30)13-11-15(28-3-7-31-8-4-28)27-18(24-13)29-5-9-32-10-6-29/h1-2,11H,3-10H2,(H3,23,25,26,30)
InChIKeyAFAXGHZKIIHTJT-UHFFFAOYSA-N
MW453.43 g/mol
LogP1.72
Rot. Bonds4

About [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea

[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 141438349) has the molecular formula C19H22F3N7O3 and a molecular weight of 453.43 g/mol. Its IUPAC name is [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID141438349
Molecular FormulaC19H22F3N7O3
Molecular Weight453.43 g/mol
Exact Mass453.17
IUPAC Name[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C19H22F3N7O3/c20-19(21,22)16-12(1-2-14(25-16)26-17(23)30)13-11-15(28-3-7-31-8-4-28)27-18(24-13)29-5-9-32-10-6-29/h1-2,11H,3-10H2,(H3,23,25,26,30)
InChIKeyAFAXGHZKIIHTJT-UHFFFAOYSA-N
XLogP1.72
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 58508127
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate
CID 162592457
4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
CID 141432896
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
CID 118565656
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 75201318
4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
CID 143514854

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea (CID 141438349) is [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea is NC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is AFAXGHZKIIHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O3/c20-19(21,22)16-12(1-2-14(25-16)26-17(23)30)13-11-15(28-3-7-31-8-4-28)27-18(24-13)29-5-9-32-10-6-29/h1-2,11H,3-10H2,(H3,23,25,26,30).
What are the key properties of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea?
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 453.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 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)-6-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 141438349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).