N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

C34H33N5 — CID 3383705

IUPACN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38)
InChIKeyAXWIBVBDIBJRKO-UHFFFAOYSA-N
MW511.67 g/mol
LogP7.26
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (PubChem CID 3383705) has the molecular formula C34H33N5 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
PubChem CID3383705
Molecular FormulaC34H33N5
Molecular Weight511.67 g/mol
Exact Mass511.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38)
InChIKeyAXWIBVBDIBJRKO-UHFFFAOYSA-N
XLogP7.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (CID 3383705) is N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is Cc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The InChIKey is AXWIBVBDIBJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine has a molecular weight of 511.67 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 3383705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).