(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine

C13H18N6O2 — CID 129334871

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(c2nccc(OC)n2)CCO1
InChIInChI=1S/C13H18N6O2/c1-3-18-9-15-17-12(18)10-8-19(6-7-21-10)13-14-5-4-11(16-13)20-2/h4-5,9-10H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyOHGLPDPZVDYCGK-SNVBAGLBSA-N
MW290.33 g/mol
LogP0.67
Rot. Bonds4

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine (PubChem CID 129334871) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
PubChem CID129334871
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(c2nccc(OC)n2)CCO1
InChIInChI=1S/C13H18N6O2/c1-3-18-9-15-17-12(18)10-8-19(6-7-21-10)13-14-5-4-11(16-13)20-2/h4-5,9-10H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyOHGLPDPZVDYCGK-SNVBAGLBSA-N
XLogP0.67
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 133292437
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 97344123
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 95273980
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 129335547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine (CID 129334871) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine is CCn1cnnc1[C@H]1CN(c2nccc(OC)n2)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine?
The InChIKey is OHGLPDPZVDYCGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-18-9-15-17-12(18)10-8-19(6-7-21-10)13-14-5-4-11(16-13)20-2/h4-5,9-10H,3,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine has a molecular weight of 290.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 129334871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).