1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

C13H19F3N4O — CID 106770296

IUPAC1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1cc(N2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-9(21)4-7-20/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeyBEMVZOLOSYTAPQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.28
Rot. Bonds4

About 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 106770296) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID106770296
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1cc(N2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-9(21)4-7-20/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeyBEMVZOLOSYTAPQ-UHFFFAOYSA-N
XLogP2.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770258
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957543
N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772934
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511

Frequently Asked Questions

What is the IUPAC name of 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (CID 106770296) is 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is CCCNc1cc(N2CCC(O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is BEMVZOLOSYTAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-5-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-9(21)4-7-20/h8-9,21H,2-7H2,1H3,(H,17,18,19).
What are the key properties of 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 304.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 106770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).