(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine

C13H21N3O2 — CID 95188830

IUPAC(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
SMILESCCC[C@H]1COCCN1Cc1cnc(OC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-4-12-10-18-6-5-16(12)9-11-7-14-13(17-2)15-8-11/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPEZDLSMPPBMORF-LBPRGKRZSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds5

About (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine

(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine (PubChem CID 95188830) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine.

Molecular Properties

Compound Name(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
PubChem CID95188830
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
SMILESCCC[C@H]1COCCN1Cc1cnc(OC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-4-12-10-18-6-5-16(12)9-11-7-14-13(17-2)15-8-11/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyPEZDLSMPPBMORF-LBPRGKRZSA-N
XLogP1.49
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine?
The IUPAC name of (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine (CID 95188830) is (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine.
What is the SMILES notation for (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine?
The canonical SMILES for (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine is CCC[C@H]1COCCN1Cc1cnc(OC)nc1.
What is the InChIKey of (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine?
The InChIKey is PEZDLSMPPBMORF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-12-10-18-6-5-16(12)9-11-7-14-13(17-2)15-8-11/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine?
(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine has a molecular weight of 251.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine is sourced from PubChem (CID 95188830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).