2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C12H24N6 — CID 80898011

IUPAC2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCc1cnc(NN)nc1NC(CN(C)C)C(C)C
InChIInChI=1S/C12H24N6/c1-8(2)10(7-18(4)5)15-11-9(3)6-14-12(16-11)17-13/h6,8,10H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyWFQYUUDCWHPRLK-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.07
Rot. Bonds6

About 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 80898011) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID80898011
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCc1cnc(NN)nc1NC(CN(C)C)C(C)C
InChIInChI=1S/C12H24N6/c1-8(2)10(7-18(4)5)15-11-9(3)6-14-12(16-11)17-13/h6,8,10H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyWFQYUUDCWHPRLK-UHFFFAOYSA-N
XLogP1.07
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180
2-N-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80995334
N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80908190
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
CID 102984055
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80806994
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854
1-N,1-N,3-trimethyl-2-N-(3-methyl-5-nitro-2-pyridinyl)butane-1,2-diamine
CID 55080504
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
CID 116795743

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 80898011) is 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is Cc1cnc(NN)nc1NC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is WFQYUUDCWHPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-8(2)10(7-18(4)5)15-11-9(3)6-14-12(16-11)17-13/h6,8,10H,7,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 252.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 80898011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).