4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one

C17H13F3N4O — CID 135484464

IUPAC4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)13-3-1-11(2-4-13)10-22-16-23-14(9-15(25)24-16)12-5-7-21-8-6-12/h1-9H,10H2,(H2,22,23,24,25)
InChIKeyQHAJSROJDOZCSE-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.46
Rot. Bonds4

About 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one

4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 135484464) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
PubChem CID135484464
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)13-3-1-11(2-4-13)10-22-16-23-14(9-15(25)24-16)12-5-7-21-8-6-12/h1-9H,10H2,(H2,22,23,24,25)
InChIKeyQHAJSROJDOZCSE-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433523
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135443433
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
1-tert-butyl-6-[[4-(trifluoromethyl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260895

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one (CID 135484464) is 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(NCc2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is QHAJSROJDOZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)13-3-1-11(2-4-13)10-22-16-23-14(9-15(25)24-16)12-5-7-21-8-6-12/h1-9H,10H2,(H2,22,23,24,25).
What are the key properties of 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 346.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135484464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).