6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

C24H27FN4 — CID 112872484

IUPAC6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)cc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H27FN4/c1-18-27-23(26-17-21-7-9-22(25)10-8-21)16-24(28-18)29-13-11-20(12-14-29)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H,26,27,28)
InChIKeyNHWZSSKKBKFUJH-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.00
Rot. Bonds6

About 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112872484) has the molecular formula C24H27FN4 and a molecular weight of 390.51 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112872484
Molecular FormulaC24H27FN4
Molecular Weight390.51 g/mol
Exact Mass390.22
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc(F)cc2)cc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H27FN4/c1-18-27-23(26-17-21-7-9-22(25)10-8-21)16-24(28-18)29-13-11-20(12-14-29)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H,26,27,28)
InChIKeyNHWZSSKKBKFUJH-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
CID 112867912
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (CID 112872484) is 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(NCc2ccc(F)cc2)cc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is NHWZSSKKBKFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4/c1-18-27-23(26-17-21-7-9-22(25)10-8-21)16-24(28-18)29-13-11-20(12-14-29)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H,26,27,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 390.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112872484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).