[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C21H19ClN4O — CID 112848726

IUPAC[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C21H19ClN4O/c1-13-7-8-16(11-17(13)22)25-20-12-18(23-14(2)24-20)21(27)26-10-9-15-5-3-4-6-19(15)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)
InChIKeySZLFPWSIEYCTMZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.69
Rot. Bonds3

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

[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 112848726) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID112848726
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C21H19ClN4O/c1-13-7-8-16(11-17(13)22)25-20-12-18(23-14(2)24-20)21(27)26-10-9-15-5-3-4-6-19(15)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)
InChIKeySZLFPWSIEYCTMZ-UHFFFAOYSA-N
XLogP4.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848727
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848812
2,3-dihydroindol-1-yl-[6-[4-(dimethylamino)anilino]-2-methylpyrimidin-4-yl]methanone
CID 112848751
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367102
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860
2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367986
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 112848726) is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is Cc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SZLFPWSIEYCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-13-7-8-16(11-17(13)22)25-20-12-18(23-14(2)24-20)21(27)26-10-9-15-5-3-4-6-19(15)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25).
What are the key properties of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 378.86 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112848726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).