[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

C16H25N5 — CID 82744561

IUPAC[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1N1CCC2CCCCC21
InChIInChI=1S/C16H25N5/c1-10-14(20-17)18-15(12-6-7-12)19-16(10)21-9-8-11-4-2-3-5-13(11)21/h11-13H,2-9,17H2,1H3,(H,18,19,20)
InChIKeyIYHORLNKYSMHAG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds3

About [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 82744561) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID82744561
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1N1CCC2CCCCC21
InChIInChI=1S/C16H25N5/c1-10-14(20-17)18-15(12-6-7-12)19-16(10)21-9-8-11-4-2-3-5-13(11)21/h11-13H,2-9,17H2,1H3,(H,18,19,20)
InChIKeyIYHORLNKYSMHAG-UHFFFAOYSA-N
XLogP2.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one
CID 81006699
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 102729117
[2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961889
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001681
1-[1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839940
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
[2-cyclopropyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 81005992
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
[4-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80903578
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (CID 82744561) is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1N1CCC2CCCCC21.
What is the InChIKey of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is IYHORLNKYSMHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10-14(20-17)18-15(12-6-7-12)19-16(10)21-9-8-11-4-2-3-5-13(11)21/h11-13H,2-9,17H2,1H3,(H,18,19,20).
What are the key properties of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 287.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).