N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine

C12H21N5 — CID 80929966

IUPACN-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC1(C)CCCCC1Nc1cc(NN)ncn1
InChIInChI=1S/C12H21N5/c1-12(2)6-4-3-5-9(12)16-10-7-11(17-13)15-8-14-10/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDQRLJNMPPPVBBA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine

N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80929966) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80929966
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC1(C)CCCCC1Nc1cc(NN)ncn1
InChIInChI=1S/C12H21N5/c1-12(2)6-4-3-5-9(12)16-10-7-11(17-13)15-8-14-10/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDQRLJNMPPPVBBA-UHFFFAOYSA-N
XLogP2.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine (CID 80929966) is N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine is CC1(C)CCCCC1Nc1cc(NN)ncn1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is DQRLJNMPPPVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-12(2)6-4-3-5-9(12)16-10-7-11(17-13)15-8-14-10/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80929966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).