4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine

C12H24N6 — CID 80895944

IUPAC4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCC(CC)CN(CC)c1cc(NN)nc(N)n1
InChIInChI=1S/C12H24N6/c1-4-9(5-2)8-18(6-3)11-7-10(17-14)15-12(13)16-11/h7,9H,4-6,8,14H2,1-3H3,(H3,13,15,16,17)
InChIKeyQIWYCMQGSKSWGW-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.61
Rot. Bonds7

About 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80895944) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80895944
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCC(CC)CN(CC)c1cc(NN)nc(N)n1
InChIInChI=1S/C12H24N6/c1-4-9(5-2)8-18(6-3)11-7-10(17-14)15-12(13)16-11/h7,9H,4-6,8,14H2,1-3H3,(H3,13,15,16,17)
InChIKeyQIWYCMQGSKSWGW-UHFFFAOYSA-N
XLogP1.61
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.61
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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Related Compounds

4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyrimidin-4-amine
CID 80896175
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyridin-2-amine
CID 80895786
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
N-ethyl-6-hydrazinyl-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 115916099
6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
CID 80648336
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80895944) is 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine is CCC(CC)CN(CC)c1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is QIWYCMQGSKSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-9(5-2)8-18(6-3)11-7-10(17-14)15-12(13)16-11/h7,9H,4-6,8,14H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 252.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80895944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).