3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol

C14H25N5O — CID 102875789

IUPAC3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O/c1-2-5-12-16-13(18-15)10-14(17-12)19(8-4-9-20)11-6-3-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyHZCYRAKJUFUZGK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.46
Rot. Bonds8

About 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol

3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 102875789) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID102875789
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O/c1-2-5-12-16-13(18-15)10-14(17-12)19(8-4-9-20)11-6-3-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyHZCYRAKJUFUZGK-UHFFFAOYSA-N
XLogP1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.46
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

3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
CID 102875795
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[(6-amino-2-propylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80955025
3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875785
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol (CID 102875789) is 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol is CCCc1nc(NN)cc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is HZCYRAKJUFUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-5-12-16-13(18-15)10-14(17-12)19(8-4-9-20)11-6-3-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 102875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).