[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol

C15H27N5O — CID 116640785

IUPAC[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCc1c(NN)nc(C(C)C)nc1N1CCCCCC1CO
InChIInChI=1S/C15H27N5O/c1-10(2)13-17-14(19-16)11(3)15(18-13)20-8-6-4-5-7-12(20)9-21/h10,12,21H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyJTADVORVVKLQAG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.94
Rot. Bonds4

About [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol

[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol (PubChem CID 116640785) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
PubChem CID116640785
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCc1c(NN)nc(C(C)C)nc1N1CCCCCC1CO
InChIInChI=1S/C15H27N5O/c1-10(2)13-17-14(19-16)11(3)15(18-13)20-8-6-4-5-7-12(20)9-21/h10,12,21H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyJTADVORVVKLQAG-UHFFFAOYSA-N
XLogP1.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[5-methyl-2-propan-2-yl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83043823
1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80994949
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067
[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640681
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640740
2-[1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 81000782
[1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperidin-2-yl]methanol
CID 102761714
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640640
[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81006221
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714

Frequently Asked Questions

What is the IUPAC name of [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol (CID 116640785) is [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol is Cc1c(NN)nc(C(C)C)nc1N1CCCCCC1CO.
What is the InChIKey of [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol?
The InChIKey is JTADVORVVKLQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-10(2)13-17-14(19-16)11(3)15(18-13)20-8-6-4-5-7-12(20)9-21/h10,12,21H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol?
[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116640785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).