N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine

C20H28N4 — CID 112933585

IUPACN-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCCCCNc1cc(-c2ccccc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H28N4/c1-3-4-12-21-19-14-18(17-10-6-5-7-11-17)22-20(23-19)24-13-8-9-16(2)15-24/h5-7,10-11,14,16H,3-4,8-9,12-13,15H2,1-2H3,(H,21,22,23)
InChIKeyYVWDUQDHOBTZLL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.59
Rot. Bonds6

About N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine

N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112933585) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112933585
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCCCCNc1cc(-c2ccccc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H28N4/c1-3-4-12-21-19-14-18(17-10-6-5-7-11-17)22-20(23-19)24-13-8-9-16(2)15-24/h5-7,10-11,14,16H,3-4,8-9,12-13,15H2,1-2H3,(H,21,22,23)
InChIKeyYVWDUQDHOBTZLL-UHFFFAOYSA-N
XLogP4.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.59
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',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
CID 112934781
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936752
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-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine (CID 112933585) is N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine is CCCCNc1cc(-c2ccccc2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is YVWDUQDHOBTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-3-4-12-21-19-14-18(17-10-6-5-7-11-17)22-20(23-19)24-13-8-9-16(2)15-24/h5-7,10-11,14,16H,3-4,8-9,12-13,15H2,1-2H3,(H,21,22,23).
What are the key properties of N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112933585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).