1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C15H12F3N5O2 — CID 156514106

IUPAC1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccnc(OC)c2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5O2/c1-19-12-9-3-4-10(15(16,17)18)21-13(9)23(14(24)22-12)8-5-6-20-11(7-8)25-2/h3-7H,1-2H3,(H,19,22,24)
InChIKeyIHUMAWMVKPYYLH-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156514106) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID156514106
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccnc(OC)c2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5O2/c1-19-12-9-3-4-10(15(16,17)18)21-13(9)23(14(24)22-12)8-5-6-20-11(7-8)25-2/h3-7H,1-2H3,(H,19,22,24)
InChIKeyIHUMAWMVKPYYLH-UHFFFAOYSA-N
XLogP2.24
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 156514106) is 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ccnc(OC)c2)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is IHUMAWMVKPYYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-19-12-9-3-4-10(15(16,17)18)21-13(9)23(14(24)22-12)8-5-6-20-11(7-8)25-2/h3-7H,1-2H3,(H,19,22,24).
What are the key properties of 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 351.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156514106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).