N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine

C12H21N5 — CID 80897461

IUPACN-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(NN)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h7-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyQCLXZUDHSPIVEP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine

N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80897461) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80897461
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(NN)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h7-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyQCLXZUDHSPIVEP-UHFFFAOYSA-N
XLogP2.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidin-4-amine
CID 80932975
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
5-bromo-4-N-(4-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 114072068
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine (CID 80897461) is N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine is CCC1CCC(Nc2cc(NN)ncn2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is QCLXZUDHSPIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h7-10H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine?
N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80897461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).