2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine

C21H30N4 — CID 112934781

IUPAC2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
SMILESCCCCCNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H30N4/c1-3-4-8-13-22-20-16-19(18-9-6-5-7-10-18)23-21(24-20)25-14-11-17(2)12-15-25/h5-7,9-10,16-17H,3-4,8,11-15H2,1-2H3,(H,22,23,24)
InChIKeyBYYOUJXHSHPEFG-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.98
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine

2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine (PubChem CID 112934781) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
PubChem CID112934781
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
SMILESCCCCCNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H30N4/c1-3-4-8-13-22-20-16-19(18-9-6-5-7-10-18)23-21(24-20)25-14-11-17(2)12-15-25/h5-7,9-10,16-17H,3-4,8,11-15H2,1-2H3,(H,22,23,24)
InChIKeyBYYOUJXHSHPEFG-UHFFFAOYSA-N
XLogP4.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112933585
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine (CID 112934781) is 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine is CCCCCNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine?
The InChIKey is BYYOUJXHSHPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-4-8-13-22-20-16-19(18-9-6-5-7-10-18)23-21(24-20)25-14-11-17(2)12-15-25/h5-7,9-10,16-17H,3-4,8,11-15H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine?
2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112934781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).