N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C12H24N6 — CID 106043625

IUPACN-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1c(NN)ncnc1NCCCN(C)C(C)C
InChIInChI=1S/C12H24N6/c1-9(2)18(4)7-5-6-14-11-10(3)12(17-13)16-8-15-11/h8-9H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyYIHADQOYHSXELI-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.21
Rot. Bonds7

About N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106043625) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106043625
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC NameN-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1c(NN)ncnc1NCCCN(C)C(C)C
InChIInChI=1S/C12H24N6/c1-9(2)18(4)7-5-6-14-11-10(3)12(17-13)16-8-15-11/h8-9H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyYIHADQOYHSXELI-UHFFFAOYSA-N
XLogP1.21
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106043625) is N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is Cc1c(NN)ncnc1NCCCN(C)C(C)C.
What is the InChIKey of N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YIHADQOYHSXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-9(2)18(4)7-5-6-14-11-10(3)12(17-13)16-8-15-11/h8-9H,5-7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 252.37 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106043625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).