6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione

C14H14ClN3O2 — CID 155955862

IUPAC6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1Cc2cc(Cl)ccc2N1Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-9-5-10(15)2-3-12(9)18(8)7-11-6-13(19)17-14(20)16-11/h2-3,5-6,8H,4,7H2,1H3,(H2,16,17,19,20)
InChIKeyGCAFFUHUIRAHDG-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.67
Rot. Bonds2

About 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 155955862) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID155955862
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1Cc2cc(Cl)ccc2N1Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-9-5-10(15)2-3-12(9)18(8)7-11-6-13(19)17-14(20)16-11/h2-3,5-6,8H,4,7H2,1H3,(H2,16,17,19,20)
InChIKeyGCAFFUHUIRAHDG-UHFFFAOYSA-N
XLogP1.67
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole
CID 24951525
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
2-(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)acetaldehyde
CID 117203192
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619
N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
CID 166408491
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
CID 7541857
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
CID 138012731
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile
CID 75398514

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 155955862) is 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione is CC1Cc2cc(Cl)ccc2N1Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GCAFFUHUIRAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-4-9-5-10(15)2-3-12(9)18(8)7-11-6-13(19)17-14(20)16-11/h2-3,5-6,8H,4,7H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 291.74 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155955862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).