N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

C17H28N4O2 — CID 129000274

IUPACN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13(2)16-15(3-6-23-16)12-18-9-14-10-19-17(20-11-14)21-4-7-22-8-5-21/h10-11,13,15-16,18H,3-9,12H2,1-2H3/t15-,16-/m1/s1
InChIKeyYYYOISOPQWDFKK-HZPDHXFCSA-N
MW320.44 g/mol
LogP1.46
Rot. Bonds6

About N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (PubChem CID 129000274) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
PubChem CID129000274
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13(2)16-15(3-6-23-16)12-18-9-14-10-19-17(20-11-14)21-4-7-22-8-5-21/h10-11,13,15-16,18H,3-9,12H2,1-2H3/t15-,16-/m1/s1
InChIKeyYYYOISOPQWDFKK-HZPDHXFCSA-N
XLogP1.46
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (CID 129000274) is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is CC(C)[C@H]1OCC[C@@H]1CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The InChIKey is YYYOISOPQWDFKK-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)16-15(3-6-23-16)12-18-9-14-10-19-17(20-11-14)21-4-7-22-8-5-21/h10-11,13,15-16,18H,3-9,12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine has a molecular weight of 320.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is sourced from PubChem (CID 129000274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).