N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine

C21H31N5 — CID 112936106

IUPACN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
SMILESCC1CCCN(c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H31N5/c1-17-9-7-14-26(16-17)21-23-19(18-10-5-4-6-11-18)15-20(24-21)22-12-8-13-25(2)3/h4-6,10-11,15,17H,7-9,12-14,16H2,1-3H3,(H,22,23,24)
InChIKeyWGDDSCJMWSXWMY-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.74
Rot. Bonds7

About N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine (PubChem CID 112936106) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
PubChem CID112936106
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
SMILESCC1CCCN(c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H31N5/c1-17-9-7-14-26(16-17)21-23-19(18-10-5-4-6-11-18)15-20(24-21)22-12-8-13-25(2)3/h4-6,10-11,15,17H,7-9,12-14,16H2,1-3H3,(H,22,23,24)
InChIKeyWGDDSCJMWSXWMY-UHFFFAOYSA-N
XLogP3.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112933585
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936752
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N',N'-dimethyl-N-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112870576
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
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',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine (CID 112936106) is N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine is CC1CCCN(c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)C1.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is WGDDSCJMWSXWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-17-9-7-14-26(16-17)21-23-19(18-10-5-4-6-11-18)15-20(24-21)22-12-8-13-25(2)3/h4-6,10-11,15,17H,7-9,12-14,16H2,1-3H3,(H,22,23,24).
What are the key properties of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 353.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 112936106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).