[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol

C12H21N3O2 — CID 114219884

IUPAC[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol
SMILESCCN(c1nc(C)cc(CO)n1)C(C)COC
InChIInChI=1S/C12H21N3O2/c1-5-15(10(3)8-17-4)12-13-9(2)6-11(7-16)14-12/h6,10,16H,5,7-8H2,1-4H3
InChIKeyXVXTZLLCABTKLD-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.14
Rot. Bonds6

About [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol

[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol (PubChem CID 114219884) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol
PubChem CID114219884
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol
SMILESCCN(c1nc(C)cc(CO)n1)C(C)COC
InChIInChI=1S/C12H21N3O2/c1-5-15(10(3)8-17-4)12-13-9(2)6-11(7-16)14-12/h6,10,16H,5,7-8H2,1-4H3
InChIKeyXVXTZLLCABTKLD-UHFFFAOYSA-N
XLogP1.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

[6-[ethyl(1-methoxypropan-2-yl)amino]pyrazin-2-yl]methanol
CID 66467071
[6-methyl-2-[methyl(propan-2-yl)amino]pyrimidin-4-yl]methanol
CID 130485751
[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219900
4,6-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3,5-triazin-2-amine
CID 62870620
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
CID 107541812
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82981586
[6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridazin-3-yl]methanol
CID 55005192
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 114995342
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815256
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
CID 64545007

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol (CID 114219884) is [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol is CCN(c1nc(C)cc(CO)n1)C(C)COC.
What is the InChIKey of [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol?
The InChIKey is XVXTZLLCABTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-15(10(3)8-17-4)12-13-9(2)6-11(7-16)14-12/h6,10,16H,5,7-8H2,1-4H3.
What are the key properties of [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol?
[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114219884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).