4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine

C12H22N6 — CID 80944187

IUPAC4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1CCCC(Nc2cc(NN)nc(N)n2)C1C
InChIInChI=1S/C12H22N6/c1-7-4-3-5-9(8(7)2)15-10-6-11(18-14)17-12(13)16-10/h6-9H,3-5,14H2,1-2H3,(H4,13,15,16,17,18)
InChIKeyIBHLHJPKSMAFLF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds3

About 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80944187) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80944187
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1CCCC(Nc2cc(NN)nc(N)n2)C1C
InChIInChI=1S/C12H22N6/c1-7-4-3-5-9(8(7)2)15-10-6-11(18-14)17-12(13)16-10/h6-9H,3-5,14H2,1-2H3,(H4,13,15,16,17,18)
InChIKeyIBHLHJPKSMAFLF-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80925560
N-(2,3-dimethylcyclopentyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80915271
N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80944500
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565274
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
N-(2,3-dimethylcyclopentyl)-6-hydrazinylpyrazin-2-amine
CID 80915676
2-N-(2,3-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261108
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80778304
6-chloro-N-(2,3-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545598
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80944187) is 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine is CC1CCCC(Nc2cc(NN)nc(N)n2)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is IBHLHJPKSMAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-7-4-3-5-9(8(7)2)15-10-6-11(18-14)17-12(13)16-10/h6-9H,3-5,14H2,1-2H3,(H4,13,15,16,17,18).
What are the key properties of 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80944187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).