N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H29N5 — CID 112857435

IUPACN-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H29N5/c1-24(2)13-10-21-19-15-20(23-16-22-19)25-11-8-18(9-12-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,22,23)
InChIKeyKEZBZVZBWVLLNP-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.91
Rot. Bonds7

About N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112857435) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112857435
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H29N5/c1-24(2)13-10-21-19-15-20(23-16-22-19)25-11-8-18(9-12-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,22,23)
InChIKeyKEZBZVZBWVLLNP-UHFFFAOYSA-N
XLogP2.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
1-[3-[[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864298
6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
CID 112867912
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112857771
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 83287337
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 112857435) is N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(N2CCC(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KEZBZVZBWVLLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-24(2)13-10-21-19-15-20(23-16-22-19)25-11-8-18(9-12-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,22,23).
What are the key properties of N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 339.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112857435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).