N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine

C19H27N5 — CID 112934570

IUPACN',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N5/c1-23(2)14-11-20-18-15-17(16-9-5-3-6-10-16)21-19(22-18)24-12-7-4-8-13-24/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,20,21,22)
InChIKeyXMRNWFCKMGUJKN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.11
Rot. Bonds6

About N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 112934570) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID112934570
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N5/c1-23(2)14-11-20-18-15-17(16-9-5-3-6-10-16)21-19(22-18)24-12-7-4-8-13-24/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,20,21,22)
InChIKeyXMRNWFCKMGUJKN-UHFFFAOYSA-N
XLogP3.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82460895
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934626
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 112934570) is N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine is CN(C)CCNc1cc(-c2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is XMRNWFCKMGUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-23(2)14-11-20-18-15-17(16-9-5-3-6-10-16)21-19(22-18)24-12-7-4-8-13-24/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,20,21,22).
What are the key properties of N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 112934570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).