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

C14H27N5O — CID 107207600

IUPAC5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)CCCCCO
InChIInChI=1S/C14H27N5O/c1-10(2)12-16-13(18-15)11(3)14(17-12)19(4)8-6-5-7-9-20/h10,20H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyHIRHLEHNCFXIGD-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.79
Rot. Bonds8

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

5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107207600) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
PubChem CID107207600
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)CCCCCO
InChIInChI=1S/C14H27N5O/c1-10(2)12-16-13(18-15)11(3)14(17-12)19(4)8-6-5-7-9-20/h10,20H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyHIRHLEHNCFXIGD-UHFFFAOYSA-N
XLogP1.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (CID 107207600) is 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is Cc1c(NN)nc(C(C)C)nc1N(C)CCCCCO.
What is the InChIKey of 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is HIRHLEHNCFXIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-10(2)12-16-13(18-15)11(3)14(17-12)19(4)8-6-5-7-9-20/h10,20H,5-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).