2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H13F3N4O — CID 136741447

IUPAC2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NC2CCCNC2)[nH]1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)17-9(16-7)15-6-2-1-3-14-5-6/h4,6,14H,1-3,5H2,(H2,15,16,17,18)
InChIKeyXPHGHKWRRLKVTI-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.95
Rot. Bonds2

About 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741447) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741447
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NC2CCCNC2)[nH]1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)17-9(16-7)15-6-2-1-3-14-5-6/h4,6,14H,1-3,5H2,(H2,15,16,17,18)
InChIKeyXPHGHKWRRLKVTI-UHFFFAOYSA-N
XLogP0.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741447) is 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(NC2CCCNC2)[nH]1.
What is the InChIKey of 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is XPHGHKWRRLKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)17-9(16-7)15-6-2-1-3-14-5-6/h4,6,14H,1-3,5H2,(H2,15,16,17,18).
What are the key properties of 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).