3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C15H27N5O — CID 81006464

IUPAC3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H27N5O/c1-9-12(19-16)17-14(15(2,3)4)18-13(9)20(5)8-10-6-11(21)7-10/h10-11,21H,6-8,16H2,1-5H3,(H,17,18,19)
InChIKeyOWGKUXOUXIUWRT-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.58
Rot. Bonds4

About 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 81006464) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID81006464
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H27N5O/c1-9-12(19-16)17-14(15(2,3)4)18-13(9)20(5)8-10-6-11(21)7-10/h10-11,21H,6-8,16H2,1-5H3,(H,17,18,19)
InChIKeyOWGKUXOUXIUWRT-UHFFFAOYSA-N
XLogP1.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.58
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'}

Analyze 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81005910
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
3-[[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80993026
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80995833
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
6-hydrazinyl-N,2,5-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 80913259
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80910084
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
2-tert-butyl-6-hydrazinyl-N,5-dimethyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82746566

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 81006464) is 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is Cc1c(NN)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is OWGKUXOUXIUWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-9-12(19-16)17-14(15(2,3)4)18-13(9)20(5)8-10-6-11(21)7-10/h10-11,21H,6-8,16H2,1-5H3,(H,17,18,19).
What are the key properties of 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 293.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 81006464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).