5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine

C12H23N5 — CID 80897613

IUPAC5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(CC)C(C)C
InChIInChI=1S/C12H23N5/c1-5-9-11(14-7-15-12(9)17-13)16-10(6-2)8(3)4/h7-8,10H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyUBOOYPREJTXWCN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.17
Rot. Bonds6

About 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 80897613) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID80897613
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(CC)C(C)C
InChIInChI=1S/C12H23N5/c1-5-9-11(14-7-15-12(9)17-13)16-10(6-2)8(3)4/h7-8,10H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyUBOOYPREJTXWCN-UHFFFAOYSA-N
XLogP2.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.17
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

2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80897021
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine (CID 80897613) is 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine is CCc1c(NN)ncnc1NC(CC)C(C)C.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is UBOOYPREJTXWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-9-11(14-7-15-12(9)17-13)16-10(6-2)8(3)4/h7-8,10H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80897613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).