(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

C19H20N4O2 — CID 110115890

IUPAC(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1
InChIInChI=1S/C19H20N4O2/c1-13-20-8-7-16(21-13)18-12-23(9-10-25-18)19(24)15-11-22(2)17-6-4-3-5-14(15)17/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyNSESFAVEUGRUEF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.49
Rot. Bonds2

About (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 110115890) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID110115890
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1
InChIInChI=1S/C19H20N4O2/c1-13-20-8-7-16(21-13)18-12-23(9-10-25-18)19(24)15-11-22(2)17-6-4-3-5-14(15)17/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyNSESFAVEUGRUEF-UHFFFAOYSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124998929
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 110115890) is (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1nccc(C2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1.
What is the InChIKey of (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is NSESFAVEUGRUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-20-8-7-16(21-13)18-12-23(9-10-25-18)19(24)15-11-22(2)17-6-4-3-5-14(15)17/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110115890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).