5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C12H11F3N6O — CID 166630169

IUPAC5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCNc1nc(Nc2ccc(C(N)=O)nc2)ncc1C(F)(F)F
InChIInChI=1S/C12H11F3N6O/c1-17-10-7(12(13,14)15)5-19-11(21-10)20-6-2-3-8(9(16)22)18-4-6/h2-5H,1H3,(H2,16,22)(H2,17,19,20,21)
InChIKeyHIPXRWCSYVPASR-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.77
Rot. Bonds4

About 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166630169) has the molecular formula C12H11F3N6O and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166630169
Molecular FormulaC12H11F3N6O
Molecular Weight312.26 g/mol
Exact Mass312.09
IUPAC Name5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCNc1nc(Nc2ccc(C(N)=O)nc2)ncc1C(F)(F)F
InChIInChI=1S/C12H11F3N6O/c1-17-10-7(12(13,14)15)5-19-11(21-10)20-6-2-3-8(9(16)22)18-4-6/h2-5H,1H3,(H2,16,22)(H2,17,19,20,21)
InChIKeyHIPXRWCSYVPASR-UHFFFAOYSA-N
XLogP1.77
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166630169) is 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is CNc1nc(Nc2ccc(C(N)=O)nc2)ncc1C(F)(F)F.
What is the InChIKey of 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is HIPXRWCSYVPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O/c1-17-10-7(12(13,14)15)5-19-11(21-10)20-6-2-3-8(9(16)22)18-4-6/h2-5H,1H3,(H2,16,22)(H2,17,19,20,21).
What are the key properties of 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 312.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166630169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).