(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone

C18H17ClN4O2 — CID 2318220

IUPAC(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-12-10-13-4-2-3-5-23(13)16(12)17(24)15-14(19)11-20-18(21-15)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyQYNRJWCZCFDIHS-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.76
Rot. Bonds3

About (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone

(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone (PubChem CID 2318220) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone
PubChem CID2318220
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-12-10-13-4-2-3-5-23(13)16(12)17(24)15-14(19)11-20-18(21-15)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyQYNRJWCZCFDIHS-UHFFFAOYSA-N
XLogP2.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone?
The IUPAC name of (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone (CID 2318220) is (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone?
The InChIKey is QYNRJWCZCFDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-10-13-4-2-3-5-23(13)16(12)17(24)15-14(19)11-20-18(21-15)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone?
(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone has a molecular weight of 356.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2318220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).