3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol

C16H28N4O2 — CID 111114925

IUPAC3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H28N4O2/c1-3-14(4-2)15(21)12-17-9-13-10-18-16(19-11-13)20-5-7-22-8-6-20/h10-11,14-15,17,21H,3-9,12H2,1-2H3
InChIKeyVQBHUCTUMAOOFP-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.20
Rot. Bonds8

About 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol

3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol (PubChem CID 111114925) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
PubChem CID111114925
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H28N4O2/c1-3-14(4-2)15(21)12-17-9-13-10-18-16(19-11-13)20-5-7-22-8-6-20/h10-11,14-15,17,21H,3-9,12H2,1-2H3
InChIKeyVQBHUCTUMAOOFP-UHFFFAOYSA-N
XLogP1.20
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 56886496
1-[[(2-Morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 72024778
((3R*,4R*)-1-{[2-(ethylamino)pyrimidin-5-yl]methyl}-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-3-yl)methanol
CID 72837174
1-[((3R*,4R*)-4-(hydroxymethyl)-1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-yl)methyl]piperidin-4-ol
CID 72848374
4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
1-{3-[(5-Ethylpyrimidin-2-YL)amino]propyl}piperidin-4-OL
CID 72927093
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
N-(5-{[(3S*,4R*)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl}pyrimidin-2-yl)glycine
CID 74235077
5-{[ethyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}pyrimidin-2-amine
CID 50971408
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-{2-[(5-Ethylpyrimidin-2-YL)amino]ethyl}piperidin-4-OL
CID 72856377

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol (CID 111114925) is 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol is CCC(CC)C(O)CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol?
The InChIKey is VQBHUCTUMAOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-14(4-2)15(21)12-17-9-13-10-18-16(19-11-13)20-5-7-22-8-6-20/h10-11,14-15,17,21H,3-9,12H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol?
3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111114925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).