4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

C13H24N6 — CID 80896120

IUPAC4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C13H24N6/c1-3-9-4-6-10(7-5-9)19(2)12-8-11(18-15)16-13(14)17-12/h8-10H,3-7,15H2,1-2H3,(H3,14,16,17,18)
InChIKeyNIEUJCWXZANZCP-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.75
Rot. Bonds4

About 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80896120) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80896120
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C13H24N6/c1-3-9-4-6-10(7-5-9)19(2)12-8-11(18-15)16-13(14)17-12/h8-10H,3-7,15H2,1-2H3,(H3,14,16,17,18)
InChIKeyNIEUJCWXZANZCP-UHFFFAOYSA-N
XLogP1.75
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (CID 80896120) is 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is CCC1CCC(N(C)c2cc(NN)nc(N)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is NIEUJCWXZANZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-3-9-4-6-10(7-5-9)19(2)12-8-11(18-15)16-13(14)17-12/h8-10H,3-7,15H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80896120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).