(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

C21H27N5O2 — CID 109325288

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-18(20(27)26-16(2)14-17-5-3-4-6-19(17)26)24-21(23-15)22-7-8-25-9-11-28-12-10-25/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,23,24)
InChIKeyATNRHKZNOLJWIX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.12
Rot. Bonds5

About (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (PubChem CID 109325288) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
PubChem CID109325288
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-18(20(27)26-16(2)14-17-5-3-4-6-19(17)26)24-21(23-15)22-7-8-25-9-11-28-12-10-25/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,23,24)
InChIKeyATNRHKZNOLJWIX-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053349
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109325248
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (CID 109325288) is (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCN2CCOCC2)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The InChIKey is ATNRHKZNOLJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-13-18(20(27)26-16(2)14-17-5-3-4-6-19(17)26)24-21(23-15)22-7-8-25-9-11-28-12-10-25/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,23,24).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).