5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine

C12H23N5 — CID 80906749

IUPAC5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)C(CC)CC
InChIInChI=1S/C12H23N5/c1-5-9(6-2)17(4)12-10(7-3)11(16-13)14-8-15-12/h8-9H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNMRDNAICKGTTED-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds6

About 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 80906749) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
PubChem CID80906749
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)C(CC)CC
InChIInChI=1S/C12H23N5/c1-5-9(6-2)17(4)12-10(7-3)11(16-13)14-8-15-12/h8-9H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNMRDNAICKGTTED-UHFFFAOYSA-N
XLogP1.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
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,5-dimethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80905747
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918799
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80904395
6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 112668063
5-ethyl-6-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914072

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine (CID 80906749) is 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine is CCc1c(NN)ncnc1N(C)C(CC)CC.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is NMRDNAICKGTTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-9(6-2)17(4)12-10(7-3)11(16-13)14-8-15-12/h8-9H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80906749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).