[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone

C19H15ClN4O2 — CID 2330151

IUPAC[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1nc(NCc2ccco2)ncc1Cl
InChIInChI=1S/C19H15ClN4O2/c1-12-9-13-5-2-3-7-24(13)17(12)18(25)16-15(20)11-22-19(23-16)21-10-14-6-4-8-26-14/h2-9,11H,10H2,1H3,(H,21,22,23)
InChIKeyRSWLXAQVZZZCHA-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.13
Rot. Bonds5

About [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone

[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone (PubChem CID 2330151) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone
PubChem CID2330151
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1nc(NCc2ccco2)ncc1Cl
InChIInChI=1S/C19H15ClN4O2/c1-12-9-13-5-2-3-7-24(13)17(12)18(25)16-15(20)11-22-19(23-16)21-10-14-6-4-8-26-14/h2-9,11H,10H2,1H3,(H,21,22,23)
InChIKeyRSWLXAQVZZZCHA-UHFFFAOYSA-N
XLogP4.13
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone?
The IUPAC name of [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone (CID 2330151) is [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1nc(NCc2ccco2)ncc1Cl.
What is the InChIKey of [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone?
The InChIKey is RSWLXAQVZZZCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-9-13-5-2-3-7-24(13)17(12)18(25)16-15(20)11-22-19(23-16)21-10-14-6-4-8-26-14/h2-9,11H,10H2,1H3,(H,21,22,23).
What are the key properties of [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone?
[5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone has a molecular weight of 366.81 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(furan-2-ylmethylamino)pyrimidin-4-yl]-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2330151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).