5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H13F3N4O — CID 136990019

IUPAC5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(4-6)8-7(14)9(18)16-5-15-8/h5-6H,1-4,14H2,(H,15,16,18)
InChIKeyKZALNFCRHXJZRC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.13
Rot. Bonds1

About 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136990019) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136990019
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(4-6)8-7(14)9(18)16-5-15-8/h5-6H,1-4,14H2,(H,15,16,18)
InChIKeyKZALNFCRHXJZRC-UHFFFAOYSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
5-amino-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951449
5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957962
5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009572
5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009786
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
5-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136990019) is 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is KZALNFCRHXJZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(4-6)8-7(14)9(18)16-5-15-8/h5-6H,1-4,14H2,(H,15,16,18).
What are the key properties of 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136990019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).