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

C12H19N7 — CID 80947963

IUPAC6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-2-3-10-16-11(8-12(17-10)18-13)15-5-7-19-6-4-14-9-19/h4,6,8-9H,2-3,5,7,13H2,1H3,(H2,15,16,17,18)
InChIKeyUPZFTOAPBRMDTJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.02
Rot. Bonds7

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

6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine (PubChem CID 80947963) 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-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
PubChem CID80947963
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCn2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-2-3-10-16-11(8-12(17-10)18-13)15-5-7-19-6-4-14-9-19/h4,6,8-9H,2-3,5,7,13H2,1H3,(H2,15,16,17,18)
InChIKeyUPZFTOAPBRMDTJ-UHFFFAOYSA-N
XLogP1.02
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.02
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-propan-2-ylpyrimidin-4-amine
CID 80964166
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775475
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
6-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidin-4-amine
CID 103012689
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80753527
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine (CID 80947963) is 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCCn2ccnc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine?
The InChIKey is UPZFTOAPBRMDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-2-3-10-16-11(8-12(17-10)18-13)15-5-7-19-6-4-14-9-19/h4,6,8-9H,2-3,5,7,13H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.02, 7 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80947963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).