[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol

C13H21N3O3 — CID 106300157

IUPAC[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCCCOc1cc(NC2(CO)CCOCC2)ncn1
InChIInChI=1S/C13H21N3O3/c1-2-5-19-12-8-11(14-10-15-12)16-13(9-17)3-6-18-7-4-13/h8,10,17H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyXCKPUCSDXGZYGB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.22
Rot. Bonds6

About [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106300157) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106300157
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCCCOc1cc(NC2(CO)CCOCC2)ncn1
InChIInChI=1S/C13H21N3O3/c1-2-5-19-12-8-11(14-10-15-12)16-13(9-17)3-6-18-7-4-13/h8,10,17H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyXCKPUCSDXGZYGB-UHFFFAOYSA-N
XLogP1.22
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-6-propoxypyrimidin-4-amine
CID 106300113
N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
CID 114170144
N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrimidin-4-amine
CID 66332609
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
CID 106296921
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 66333387
N-[4-(chloromethyl)oxan-4-yl]-6-propylpyrimidin-4-amine
CID 114170441
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393

Frequently Asked Questions

What is the IUPAC name of [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106300157) is [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol is CCCOc1cc(NC2(CO)CCOCC2)ncn1.
What is the InChIKey of [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is XCKPUCSDXGZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-5-19-12-8-11(14-10-15-12)16-13(9-17)3-6-18-7-4-13/h8,10,17H,2-7,9H2,1H3,(H,14,15,16).
What are the key properties of [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).