[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H28N4O — CID 112847541

IUPAC[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCCN(CCC)c1cc(C(=O)N2c3ccccc3CC2C)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-5-11-24(12-6-2)20-14-18(22-16(4)23-20)21(26)25-15(3)13-17-9-7-8-10-19(17)25/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyQLQDWKWTCIYMMQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.00
Rot. Bonds6

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

[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112847541) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112847541
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCCN(CCC)c1cc(C(=O)N2c3ccccc3CC2C)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-5-11-24(12-6-2)20-14-18(22-16(4)23-20)21(26)25-15(3)13-17-9-7-8-10-19(17)25/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyQLQDWKWTCIYMMQ-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109370002
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112850083
[6-(3,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112851113
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593

Frequently Asked Questions

What is the IUPAC name of [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 112847541) is [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCCN(CCC)c1cc(C(=O)N2c3ccccc3CC2C)nc(C)n1.
What is the InChIKey of [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QLQDWKWTCIYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-5-11-24(12-6-2)20-14-18(22-16(4)23-20)21(26)25-15(3)13-17-9-7-8-10-19(17)25/h7-10,14-15H,5-6,11-13H2,1-4H3.
What are the key properties of [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112847541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).