4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine

C19H32N4O2 — CID 95883013

IUPAC4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine
SMILESCCCOCCN1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H32N4O2/c1-3-10-24-11-7-22-6-4-5-17(15-22)18-14-19(21-16(2)20-18)23-8-12-25-13-9-23/h14,17H,3-13,15H2,1-2H3/t17-/m0/s1
InChIKeyRYQWKRFGDPLGAY-KRWDZBQOSA-N
MW348.49 g/mol
LogP2.23
Rot. Bonds7

About 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 95883013) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID95883013
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine
SMILESCCCOCCN1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H32N4O2/c1-3-10-24-11-7-22-6-4-5-17(15-22)18-14-19(21-16(2)20-18)23-8-12-25-13-9-23/h14,17H,3-13,15H2,1-2H3/t17-/m0/s1
InChIKeyRYQWKRFGDPLGAY-KRWDZBQOSA-N
XLogP2.23
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine (CID 95883013) is 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine is CCCOCCN1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RYQWKRFGDPLGAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-10-24-11-7-22-6-4-5-17(15-22)18-14-19(21-16(2)20-18)23-8-12-25-13-9-23/h14,17H,3-13,15H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 348.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 95883013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).