N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine

C16H30N6 — CID 53315801

IUPACN'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine
SMILESCN1CCN(c2ccnc(N(C)CCCCCCN)n2)CC1
InChIInChI=1S/C16H30N6/c1-20-11-13-22(14-12-20)15-7-9-18-16(19-15)21(2)10-6-4-3-5-8-17/h7,9H,3-6,8,10-14,17H2,1-2H3
InChIKeyIZPCBAXDLMVATR-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.18
Rot. Bonds8

About N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine

N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine (PubChem CID 53315801) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine
PubChem CID53315801
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC NameN'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine
SMILESCN1CCN(c2ccnc(N(C)CCCCCCN)n2)CC1
InChIInChI=1S/C16H30N6/c1-20-11-13-22(14-12-20)15-7-9-18-16(19-15)21(2)10-6-4-3-5-8-17/h7,9H,3-6,8,10-14,17H2,1-2H3
InChIKeyIZPCBAXDLMVATR-UHFFFAOYSA-N
XLogP1.18
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine with MolForge

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
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
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine?
The IUPAC name of N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine (CID 53315801) is N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine is CN1CCN(c2ccnc(N(C)CCCCCCN)n2)CC1.
What is the InChIKey of N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine?
The InChIKey is IZPCBAXDLMVATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-20-11-13-22(14-12-20)15-7-9-18-16(19-15)21(2)10-6-4-3-5-8-17/h7,9H,3-6,8,10-14,17H2,1-2H3.
What are the key properties of N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine?
N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine has a molecular weight of 306.46 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine is sourced from PubChem (CID 53315801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).