N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine

C17H32N6 — CID 53315797

IUPACN',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
SMILESCN(C)CCCCCCNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C17H32N6/c1-21(2)9-7-5-4-6-8-18-16-14-17(20-15-19-16)23-12-10-22(3)11-13-23/h14-15H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyGMUFOTNNGVEDHN-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.76
Rot. Bonds9

About N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine

N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine (PubChem CID 53315797) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
PubChem CID53315797
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC NameN',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
SMILESCN(C)CCCCCCNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C17H32N6/c1-21(2)9-7-5-4-6-8-18-16-14-17(20-15-19-16)23-12-10-22(3)11-13-23/h14-15H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyGMUFOTNNGVEDHN-UHFFFAOYSA-N
XLogP1.76
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 14585243
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine?
The IUPAC name of N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine (CID 53315797) is N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine?
The canonical SMILES for N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine is CN(C)CCCCCCNc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine?
The InChIKey is GMUFOTNNGVEDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-21(2)9-7-5-4-6-8-18-16-14-17(20-15-19-16)23-12-10-22(3)11-13-23/h14-15H,4-13H2,1-3H3,(H,18,19,20).
What are the key properties of N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine?
N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine has a molecular weight of 320.49 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine is sourced from PubChem (CID 53315797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).