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

C17H26N8 — CID 112857771

IUPACN',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C17H26N8/c1-23(2)8-4-7-18-15-13-16(22-14-21-15)24-9-11-25(12-10-24)17-19-5-3-6-20-17/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,18,21,22)
InChIKeyZPVCQATWMWEFJP-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.96
Rot. Bonds7

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

N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine (PubChem CID 112857771) has the molecular formula C17H26N8 and a molecular weight of 342.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
PubChem CID112857771
Molecular FormulaC17H26N8
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC NameN',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C17H26N8/c1-23(2)8-4-7-18-15-13-16(22-14-21-15)24-9-11-25(12-10-24)17-19-5-3-6-20-17/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,18,21,22)
InChIKeyZPVCQATWMWEFJP-UHFFFAOYSA-N
XLogP0.96
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109154259
N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857435
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine (CID 112857771) is N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine is CN(C)CCCNc1cc(N2CCN(c3ncccn3)CC2)ncn1.
What is the InChIKey of N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is ZPVCQATWMWEFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8/c1-23(2)8-4-7-18-15-13-16(22-14-21-15)24-9-11-25(12-10-24)17-19-5-3-6-20-17/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,18,21,22).
What are the key properties of N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 342.45 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 112857771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).