6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine

C12H19N7 — CID 80964166

IUPAC6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-9(2)12-16-10(7-11(17-12)18-13)15-4-6-19-5-3-14-8-19/h3,5,7-9H,4,6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyJZHRERRTJYRYRH-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.19
Rot. Bonds6

About 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80964166) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80964166
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-9(2)12-16-10(7-11(17-12)18-13)15-4-6-19-5-3-14-8-19/h3,5,7-9H,4,6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyJZHRERRTJYRYRH-UHFFFAOYSA-N
XLogP1.19
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775475
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 146145450
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973860
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
N-(2-imidazol-1-ylethyl)-6-methoxypyridin-2-amine
CID 63590047
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine (CID 80964166) is 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NCCn2ccnc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JZHRERRTJYRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-9(2)12-16-10(7-11(17-12)18-13)15-4-6-19-5-3-14-8-19/h3,5,7-9H,4,6,13H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80964166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).