1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine

C20H25F3N4 — CID 72870984

IUPAC1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCc3cc(F)c(F)c(F)c3)CC2)nc(C)n1
InChIInChI=1S/C20H25F3N4/c1-3-4-16-11-19(26-13(2)25-16)27-7-5-15(6-8-27)24-12-14-9-17(21)20(23)18(22)10-14/h9-11,15,24H,3-8,12H2,1-2H3
InChIKeyLTWRVVSSOYWCET-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.91
Rot. Bonds6

About 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine

1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine (PubChem CID 72870984) has the molecular formula C20H25F3N4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine
PubChem CID72870984
Molecular FormulaC20H25F3N4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCc3cc(F)c(F)c(F)c3)CC2)nc(C)n1
InChIInChI=1S/C20H25F3N4/c1-3-4-16-11-19(26-13(2)25-16)27-7-5-15(6-8-27)24-12-14-9-17(21)20(23)18(22)10-14/h9-11,15,24H,3-8,12H2,1-2H3
InChIKeyLTWRVVSSOYWCET-UHFFFAOYSA-N
XLogP3.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine (CID 72870984) is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine is CCCc1cc(N2CCC(NCc3cc(F)c(F)c(F)c3)CC2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine?
The InChIKey is LTWRVVSSOYWCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4/c1-3-4-16-11-19(26-13(2)25-16)27-7-5-15(6-8-27)24-12-14-9-17(21)20(23)18(22)10-14/h9-11,15,24H,3-8,12H2,1-2H3.
What are the key properties of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine?
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine has a molecular weight of 378.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 72870984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).