6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine

C12H22N6 — CID 80925560

IUPAC6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
SMILESCC1CCCCCC1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C12H22N6/c1-8-5-3-2-4-6-9(8)15-10-7-11(18-14)17-12(13)16-10/h7-9H,2-6,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyJKIVWSQFQZGXCM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds3

About 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine (PubChem CID 80925560) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
PubChem CID80925560
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
SMILESCC1CCCCCC1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C12H22N6/c1-8-5-3-2-4-6-9(8)15-10-7-11(18-14)17-12(13)16-10/h7-9H,2-6,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyJKIVWSQFQZGXCM-UHFFFAOYSA-N
XLogP1.73
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 54
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-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
6-hydrazinyl-N-(2-methylcyclohexyl)pyrazin-2-amine
CID 80943151
2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80944363
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
6-N-(2-methylcycloheptyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718779
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80911652
N-(2,3-dimethylcyclopentyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80915271

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine (CID 80925560) is 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine is CC1CCCCCC1Nc1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The InChIKey is JKIVWSQFQZGXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-8-5-3-2-4-6-9(8)15-10-7-11(18-14)17-12(13)16-10/h7-9H,2-6,14H2,1H3,(H4,13,15,16,17,18).
What are the key properties of 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80925560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).