5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C13H25N5O — CID 114152330

IUPAC5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCCc1nc(NN)cc(NCCCC(C)CO)n1
InChIInChI=1S/C13H25N5O/c1-3-5-11-16-12(8-13(17-11)18-14)15-7-4-6-10(2)9-19/h8,10,19H,3-7,9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyITQILHOYNZRWRI-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.54
Rot. Bonds9

About 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 114152330) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID114152330
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCCc1nc(NN)cc(NCCCC(C)CO)n1
InChIInChI=1S/C13H25N5O/c1-3-5-11-16-12(8-13(17-11)18-14)15-7-4-6-10(2)9-19/h8,10,19H,3-7,9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyITQILHOYNZRWRI-UHFFFAOYSA-N
XLogP1.54
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838

Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 114152330) is 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is CCCc1nc(NN)cc(NCCCC(C)CO)n1.
What is the InChIKey of 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is ITQILHOYNZRWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-5-11-16-12(8-13(17-11)18-14)15-7-4-6-10(2)9-19/h8,10,19H,3-7,9,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 114152330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).