4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile

C10H10F3N5O — CID 106772473

IUPAC4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2cc(N)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-16-7(15)3-8(17-9)18-1-2-19-6(4-14)5-18/h3,6H,1-2,5H2,(H2,15,16,17)
InChIKeyZPYHERQVDVPHGC-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.81
Rot. Bonds1

About 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile

4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile (PubChem CID 106772473) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
PubChem CID106772473
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2cc(N)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-16-7(15)3-8(17-9)18-1-2-19-6(4-14)5-18/h3,6H,1-2,5H2,(H2,15,16,17)
InChIKeyZPYHERQVDVPHGC-UHFFFAOYSA-N
XLogP0.81
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80850367
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106772418
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775371
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
CID 79674180
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile (CID 106772473) is 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile is N#CC1CN(c2cc(N)nc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile?
The InChIKey is ZPYHERQVDVPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)9-16-7(15)3-8(17-9)18-1-2-19-6(4-14)5-18/h3,6H,1-2,5H2,(H2,15,16,17).
What are the key properties of 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile?
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile has a molecular weight of 273.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 106772473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).