2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

C14H25N5O — CID 81006891

IUPAC2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NC1CCCCC1O
InChIInChI=1S/C14H25N5O/c1-8(2)12-17-13(9(3)14(18-12)19-15)16-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyVAGDNKAHYNPGSR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.91
Rot. Bonds4

About 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 81006891) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID81006891
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NC1CCCCC1O
InChIInChI=1S/C14H25N5O/c1-8(2)12-17-13(9(3)14(18-12)19-15)16-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyVAGDNKAHYNPGSR-UHFFFAOYSA-N
XLogP1.91
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.91
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

N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826319
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114506710
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103065385
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
N-(2,2-dimethyloxan-4-yl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83036694
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80985130
N-cyclopentyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80932373
[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640785
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 156865350
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80995792

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 81006891) is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is Cc1c(NN)nc(C(C)C)nc1NC1CCCCC1O.
What is the InChIKey of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is VAGDNKAHYNPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-8(2)12-17-13(9(3)14(18-12)19-15)16-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 81006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).