6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C18H16N4O2 — CID 139220049

IUPAC6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C3=Nc4ccccc4C3(C)C)cnc21
InChIInChI=1S/C18H16N4O2/c1-18(2)12-6-4-5-7-13(12)20-14(18)10-8-11-15(19-9-10)22(3)17(24)21-16(11)23/h4-9H,1-3H3,(H,21,23,24)
InChIKeyFCTLGWBSHJYYEY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.03
Rot. Bonds1

About 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 139220049) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID139220049
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C3=Nc4ccccc4C3(C)C)cnc21
InChIInChI=1S/C18H16N4O2/c1-18(2)12-6-4-5-7-13(12)20-14(18)10-8-11-15(19-9-10)22(3)17(24)21-16(11)23/h4-9H,1-3H3,(H,21,23,24)
InChIKeyFCTLGWBSHJYYEY-UHFFFAOYSA-N
XLogP2.03
TPSA80.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,3-dimethylindol-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 139220044
6-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171943
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12028356
1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 63772557
6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171949
8-methyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
CID 11065540
1-phenylpropyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167981393
N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154800554
1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110171948
1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 166201177
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 119981185

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 139220049) is 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cc(C3=Nc4ccccc4C3(C)C)cnc21.
What is the InChIKey of 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FCTLGWBSHJYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-18(2)12-6-4-5-7-13(12)20-14(18)10-8-11-15(19-9-10)22(3)17(24)21-16(11)23/h4-9H,1-3H3,(H,21,23,24).
What are the key properties of 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 139220049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).