5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C16H16F3N7O — CID 151063514

IUPAC5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CNCCO3)n2)cn1
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)13-9-24-15(25-11-2-1-10(5-20)22-6-11)26-14(13)23-8-12-7-21-3-4-27-12/h1-2,6,9,12,21H,3-4,7-8H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyMGQWGEIGXQSKLA-GFCCVEGCSA-N
MW379.35 g/mol
LogP1.91
Rot. Bonds5

About 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 151063514) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID151063514
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CNCCO3)n2)cn1
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)13-9-24-15(25-11-2-1-10(5-20)22-6-11)26-14(13)23-8-12-7-21-3-4-27-12/h1-2,6,9,12,21H,3-4,7-8H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyMGQWGEIGXQSKLA-GFCCVEGCSA-N
XLogP1.91
TPSA107.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 151063514) is 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CNCCO3)n2)cn1.
What is the InChIKey of 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is MGQWGEIGXQSKLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F3N7O/c17-16(18,19)13-9-24-15(25-11-2-1-10(5-20)22-6-11)26-14(13)23-8-12-7-21-3-4-27-12/h1-2,6,9,12,21H,3-4,7-8H2,(H2,23,24,25,26)/t12-/m1/s1.
What are the key properties of 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 379.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 151063514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).