4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C22H25N5 — CID 112937177

IUPAC4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(NCc3ccccn3)n2)C1
InChIInChI=1S/C22H25N5/c1-17-8-7-13-27(16-17)21-14-20(18-9-3-2-4-10-18)25-22(26-21)24-15-19-11-5-6-12-23-19/h2-6,9-12,14,17H,7-8,13,15-16H2,1H3,(H,24,25,26)
InChIKeyDOTOCKAIEHJFCD-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.39
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112937177) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID112937177
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(NCc3ccccn3)n2)C1
InChIInChI=1S/C22H25N5/c1-17-8-7-13-27(16-17)21-14-20(18-9-3-2-4-10-18)25-22(26-21)24-15-19-11-5-6-12-23-19/h2-6,9-12,14,17H,7-8,13,15-16H2,1H3,(H,24,25,26)
InChIKeyDOTOCKAIEHJFCD-UHFFFAOYSA-N
XLogP4.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112938033
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-2-ylmethylamino)pyridin-3-ol
CID 165038873
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
2-methyl-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285603
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 112937177) is 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CC1CCCN(c2cc(-c3ccccc3)nc(NCc3ccccn3)n2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is DOTOCKAIEHJFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-17-8-7-13-27(16-17)21-14-20(18-9-3-2-4-10-18)25-22(26-21)24-15-19-11-5-6-12-23-19/h2-6,9-12,14,17H,7-8,13,15-16H2,1H3,(H,24,25,26).
What are the key properties of 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112937177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).