3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol

C11H19N3O — CID 103768344

IUPAC3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-4-11(3,6-8-15)14-10-12-7-5-9(2)13-10/h5,7,15H,4,6,8H2,1-3H3,(H,12,13,14)
InChIKeyWVSSGQJMXJCYIS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds5

About 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol

3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 103768344) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
PubChem CID103768344
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-4-11(3,6-8-15)14-10-12-7-5-9(2)13-10/h5,7,15H,4,6,8H2,1-3H3,(H,12,13,14)
InChIKeyWVSSGQJMXJCYIS-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol
CID 104924817
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
CID 113412332
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 106171144
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503
2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
2-cyclopropyl-2-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 115308174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol (CID 103768344) is 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol is CCC(C)(CCO)Nc1nccc(C)n1.
What is the InChIKey of 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is WVSSGQJMXJCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(3,6-8-15)14-10-12-7-5-9(2)13-10/h5,7,15H,4,6,8H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 103768344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).