(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine

C18H23N5O2 — CID 90400233

IUPAC(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine
SMILESCCOc1ccc2n[nH]c(C3C=C(N4CCO[C@H](C)C4)NC=N3)c2c1
InChIInChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,20)(H,21,22)/t12-,16?/m1/s1
InChIKeyOGHHICOIGPBOIO-ZGTOLYCTSA-N
MW341.42 g/mol
LogP2.20
Rot. Bonds4

About (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine

(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine (PubChem CID 90400233) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine
PubChem CID90400233
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine
SMILESCCOc1ccc2n[nH]c(C3C=C(N4CCO[C@H](C)C4)NC=N3)c2c1
InChIInChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,20)(H,21,22)/t12-,16?/m1/s1
InChIKeyOGHHICOIGPBOIO-ZGTOLYCTSA-N
XLogP2.20
TPSA74.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine?
The IUPAC name of (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine (CID 90400233) is (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine.
What is the SMILES notation for (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine?
The canonical SMILES for (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine is CCOc1ccc2n[nH]c(C3C=C(N4CCO[C@H](C)C4)NC=N3)c2c1.
What is the InChIKey of (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine?
The InChIKey is OGHHICOIGPBOIO-ZGTOLYCTSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,20)(H,21,22)/t12-,16?/m1/s1.
What are the key properties of (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine?
(2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine has a molecular weight of 341.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(5-ethoxy-2H-indazol-3-yl)-1,4-dihydropyrimidin-6-yl]-2-methylmorpholine is sourced from PubChem (CID 90400233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).