[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol

C12H21N3O2 — CID 114219900

IUPAC[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
SMILESCCOCCN(CC)c1nc(C)cc(CO)n1
InChIInChI=1S/C12H21N3O2/c1-4-15(6-7-17-5-2)12-13-10(3)8-11(9-16)14-12/h8,16H,4-7,9H2,1-3H3
InChIKeySQIMJMIESMMPCD-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.14
Rot. Bonds7

About [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol

[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol (PubChem CID 114219900) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
PubChem CID114219900
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
SMILESCCOCCN(CC)c1nc(C)cc(CO)n1
InChIInChI=1S/C12H21N3O2/c1-4-15(6-7-17-5-2)12-13-10(3)8-11(9-16)14-12/h8,16H,4-7,9H2,1-3H3
InChIKeySQIMJMIESMMPCD-UHFFFAOYSA-N
XLogP1.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219884
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
[6-methyl-2-[methyl(propan-2-yl)amino]pyrimidin-4-yl]methanol
CID 130485751
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80629506
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
N-(2-ethoxyethyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80909371
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 63696879

Frequently Asked Questions

What is the IUPAC name of [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol (CID 114219900) is [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol is CCOCCN(CC)c1nc(C)cc(CO)n1.
What is the InChIKey of [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol?
The InChIKey is SQIMJMIESMMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15(6-7-17-5-2)12-13-10(3)8-11(9-16)14-12/h8,16H,4-7,9H2,1-3H3.
What are the key properties of [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol?
[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114219900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).