4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

C12H22N6 — CID 80899128

IUPAC4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1cc(NN)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H22N6/c1-18(9-6-4-2-3-5-7-9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17)
InChIKeyNHADMTUCODRNSR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.50
Rot. Bonds3

About 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80899128) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80899128
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1cc(NN)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H22N6/c1-18(9-6-4-2-3-5-7-9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17)
InChIKeyNHADMTUCODRNSR-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.50
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'}

Analyze 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80927990
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
N-cyclopentyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968637
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
N-cyclopropyl-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80940513
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80895958
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (CID 80899128) is 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is CN(c1cc(NN)nc(N)n1)C1CCCCCC1.
What is the InChIKey of 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is NHADMTUCODRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-18(9-6-4-2-3-5-7-9)11-8-10(17-14)15-12(13)16-11/h8-9H,2-7,14H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80899128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).