2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol

C14H25N5O — CID 80904987

IUPAC2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
SMILESCCCc1c(NN)ncnc1N(CCO)C1CCCC1
InChIInChI=1S/C14H25N5O/c1-2-5-12-13(18-15)16-10-17-14(12)19(8-9-20)11-6-3-4-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyVBQZFRDJQAXLJW-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.46
Rot. Bonds7

About 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol

2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol (PubChem CID 80904987) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
PubChem CID80904987
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
SMILESCCCc1c(NN)ncnc1N(CCO)C1CCCC1
InChIInChI=1S/C14H25N5O/c1-2-5-12-13(18-15)16-10-17-14(12)19(8-9-20)11-6-3-4-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyVBQZFRDJQAXLJW-UHFFFAOYSA-N
XLogP1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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

2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
CID 102875852
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899134

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol (CID 80904987) is 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol is CCCc1c(NN)ncnc1N(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol?
The InChIKey is VBQZFRDJQAXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-5-12-13(18-15)16-10-17-14(12)19(8-9-20)11-6-3-4-7-11/h10-11,20H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol?
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol has a molecular weight of 279.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80904987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).