1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol

C11H21N5O — CID 107159886

IUPAC1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCc1nc(NN)cc(NCC(O)CC(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)4-9(17)6-13-10-5-11(16-12)15-8(3)14-10/h5,7,9,17H,4,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyKYXFJEPMCZLJOA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.89
Rot. Bonds6

About 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol

1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 107159886) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID107159886
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCc1nc(NN)cc(NCC(O)CC(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)4-9(17)6-13-10-5-11(16-12)15-8(3)14-10/h5,7,9,17H,4,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyKYXFJEPMCZLJOA-UHFFFAOYSA-N
XLogP0.89
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.89
H-Bond Donors ≤ 54
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

1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
1-[(6-hydrazinyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107159891
6-hydrazinyl-N-(2-methoxypropyl)-2-methylpyrimidin-4-amine
CID 102701972
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (CID 107159886) is 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is Cc1nc(NN)cc(NCC(O)CC(C)C)n1.
What is the InChIKey of 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is KYXFJEPMCZLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7(2)4-9(17)6-13-10-5-11(16-12)15-8(3)14-10/h5,7,9,17H,4,6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).