2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

C24H28N4O — CID 112925846

IUPAC2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O/c1-18-16-23(26-21-8-10-22(29-2)11-9-21)27-24(25-18)28-14-12-20(13-15-28)17-19-6-4-3-5-7-19/h3-11,16,20H,12-15,17H2,1-2H3,(H,25,26,27)
InChIKeyUHKIMVDVHNMSBN-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.00
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 112925846) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID112925846
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O/c1-18-16-23(26-21-8-10-22(29-2)11-9-21)27-24(25-18)28-14-12-20(13-15-28)17-19-6-4-3-5-7-19/h3-11,16,20H,12-15,17H2,1-2H3,(H,25,26,27)
InChIKeyUHKIMVDVHNMSBN-UHFFFAOYSA-N
XLogP5.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112925851
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 18566510
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 112925846) is 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is UHKIMVDVHNMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-16-23(26-21-8-10-22(29-2)11-9-21)27-24(25-18)28-14-12-20(13-15-28)17-19-6-4-3-5-7-19/h3-11,16,20H,12-15,17H2,1-2H3,(H,25,26,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 388.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112925846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).