[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone

C21H24N4O2 — CID 172881752

IUPAC[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(N2CCOC(C(=O)N3CCc4ccccc43)C2)nc(C2CC2)n1
InChIInChI=1S/C21H24N4O2/c1-14-12-19(23-20(22-14)16-6-7-16)24-10-11-27-18(13-24)21(26)25-9-8-15-4-2-3-5-17(15)25/h2-5,12,16,18H,6-11,13H2,1H3
InChIKeyFEADXZGHZOMDCP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds3

About [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone

[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 172881752) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID172881752
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(N2CCOC(C(=O)N3CCc4ccccc43)C2)nc(C2CC2)n1
InChIInChI=1S/C21H24N4O2/c1-14-12-19(23-20(22-14)16-6-7-16)24-10-11-27-18(13-24)21(26)25-9-8-15-4-2-3-5-17(15)25/h2-5,12,16,18H,6-11,13H2,1H3
InChIKeyFEADXZGHZOMDCP-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 172881752) is [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone is Cc1cc(N2CCOC(C(=O)N3CCc4ccccc43)C2)nc(C2CC2)n1.
What is the InChIKey of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is FEADXZGHZOMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-12-19(23-20(22-14)16-6-7-16)24-10-11-27-18(13-24)21(26)25-9-8-15-4-2-3-5-17(15)25/h2-5,12,16,18H,6-11,13H2,1H3.
What are the key properties of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 172881752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).