bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane

C34H44N6O4 — CID 166112371

IUPACbis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
SMILESCC.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O
InChIInChI=1S/2C16H19N3O2.C2H6/c2*1-9-13-8-17-11(3)18-15(13)19(12-6-4-5-7-12)16(21)14(9)10(2)20;1-2/h2*8,12H,4-7H2,1-3H3;1-2H3
InChIKeyDNGVAZQZQYCILK-UHFFFAOYSA-N
MW600.76 g/mol
LogP6.48
Rot. Bonds4

About bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane

bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane (PubChem CID 166112371) has the molecular formula C34H44N6O4 and a molecular weight of 600.76 g/mol. Its IUPAC name is bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane.

Molecular Properties

Compound Namebis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
PubChem CID166112371
Molecular FormulaC34H44N6O4
Molecular Weight600.76 g/mol
Exact Mass600.34
IUPAC Namebis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
SMILESCC.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O
InChIInChI=1S/2C16H19N3O2.C2H6/c2*1-9-13-8-17-11(3)18-15(13)19(12-6-4-5-7-12)16(21)14(9)10(2)20;1-2/h2*8,12H,4-7H2,1-3H3;1-2H3
InChIKeyDNGVAZQZQYCILK-UHFFFAOYSA-N
XLogP6.48
TPSA129.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one;methanamine
CID 144744641
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 155210544
6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163366195
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118695579
6-acetyl-2-[[5-(2-aminoethylamino)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329976
6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 155210559
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
tert-butyl 4-(6-acetyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)piperidine-1-carboxylate
CID 155219799

Frequently Asked Questions

What is the IUPAC name of bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane?
The IUPAC name of bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane (CID 166112371) is bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane.
What is the SMILES notation for bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane?
The canonical SMILES for bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane is CC.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(C)nc2n(C2CCCC2)c1=O.
What is the InChIKey of bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane?
The InChIKey is DNGVAZQZQYCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N3O2.C2H6/c2*1-9-13-8-17-11(3)18-15(13)19(12-6-4-5-7-12)16(21)14(9)10(2)20;1-2/h2*8,12H,4-7H2,1-3H3;1-2H3.
What are the key properties of bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane?
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane has a molecular weight of 600.76 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane is sourced from PubChem (CID 166112371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).