[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol

C13H21N3O3 — CID 106300257

IUPAC[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
SMILESCCOc1cc(C)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C13H21N3O3/c1-3-19-11-8-10(2)14-12(15-11)16-13(9-17)4-6-18-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyDSVHNAVGTYYGAQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.14
Rot. Bonds5

About [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol

[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol (PubChem CID 106300257) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
PubChem CID106300257
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
SMILESCCOc1cc(C)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C13H21N3O3/c1-3-19-11-8-10(2)14-12(15-11)16-13(9-17)4-6-18-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyDSVHNAVGTYYGAQ-UHFFFAOYSA-N
XLogP1.14
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
CID 106301212
[1-[(4,6-dimethylpyrimidin-2-yl)amino]cyclobutyl]methanol
CID 115774262
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 106298125
4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425678
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974963
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol (CID 106300257) is [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol is CCOc1cc(C)nc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol?
The InChIKey is DSVHNAVGTYYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-19-11-8-10(2)14-12(15-11)16-13(9-17)4-6-18-7-5-13/h8,17H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol?
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).