5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol

C12H21N3O — CID 107269253

IUPAC5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1cc(NCCCC(C)O)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-4-11-8-12(15-10(3)14-11)13-7-5-6-9(2)16/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVTVHKZBDLDEYIE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.92
Rot. Bonds6

About 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 107269253) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID107269253
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1cc(NCCCC(C)O)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-4-11-8-12(15-10(3)14-11)13-7-5-6-9(2)16/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVTVHKZBDLDEYIE-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 107269253) is 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol is CCc1cc(NCCCC(C)O)nc(C)n1.
What is the InChIKey of 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is VTVHKZBDLDEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11-8-12(15-10(3)14-11)13-7-5-6-9(2)16/h8-9,16H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).