[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol

C12H21N5O3 — CID 102939087

IUPAC[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C12H21N5O3/c1-3-4-19-12-15-10(13)14-11(16-12)17-5-8(2)20-9(6-17)7-18/h8-9,18H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyHMLDFZYEHOWWDY-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.17
Rot. Bonds5

About [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol

[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102939087) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102939087
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C12H21N5O3/c1-3-4-19-12-15-10(13)14-11(16-12)17-5-8(2)20-9(6-17)7-18/h8-9,18H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyHMLDFZYEHOWWDY-UHFFFAOYSA-N
XLogP-0.17
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939089
[4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939211
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978
[4-(5-amino-6-ethoxy-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102931951
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
CID 80779052
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80791929
[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 102933302
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol (CID 102939087) is [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol is CCCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1.
What is the InChIKey of [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is HMLDFZYEHOWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-3-4-19-12-15-10(13)14-11(16-12)17-5-8(2)20-9(6-17)7-18/h8-9,18H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102939087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).