2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine

C13H19N7 — CID 80995126

IUPAC2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1NCCn1ccnc1
InChIInChI=1S/C13H19N7/c1-9-11(16-5-7-20-6-4-15-8-20)17-13(10-2-3-10)18-12(9)19-14/h4,6,8,10H,2-3,5,7,14H2,1H3,(H2,16,17,18,19)
InChIKeyCUNUOBJXQKLALN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds6

About 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine (PubChem CID 80995126) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
PubChem CID80995126
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1NCCn1ccnc1
InChIInChI=1S/C13H19N7/c1-9-11(16-5-7-20-6-4-15-8-20)17-13(10-2-3-10)18-12(9)19-14/h4,6,8,10H,2-3,5,7,14H2,1H3,(H2,16,17,18,19)
InChIKeyCUNUOBJXQKLALN-UHFFFAOYSA-N
XLogP1.26
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
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

2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
CID 82456253
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 39755706
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 114073280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine (CID 80995126) is 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine is Cc1c(NN)nc(C2CC2)nc1NCCn1ccnc1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine?
The InChIKey is CUNUOBJXQKLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-11(16-5-7-20-6-4-15-8-20)17-13(10-2-3-10)18-12(9)19-14/h4,6,8,10H,2-3,5,7,14H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80995126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).