[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

C26H31N5O3 — CID 21018432

IUPAC[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1nc(-c2cnc(N(C)C)cc2C)n(C)c(=O)c1NC1c2ccccc2CC1OC(C)=O
InChIInChI=1S/C26H31N5O3/c1-7-20-24(29-23-18-11-9-8-10-17(18)13-21(23)34-16(3)32)26(33)31(6)25(28-20)19-14-27-22(30(4)5)12-15(19)2/h8-12,14,21,23,29H,7,13H2,1-6H3
InChIKeyXNQOXOLGAJOTRX-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.42
Rot. Bonds6

About [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 21018432) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID21018432
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1nc(-c2cnc(N(C)C)cc2C)n(C)c(=O)c1NC1c2ccccc2CC1OC(C)=O
InChIInChI=1S/C26H31N5O3/c1-7-20-24(29-23-18-11-9-8-10-17(18)13-21(23)34-16(3)32)26(33)31(6)25(28-20)19-14-27-22(30(4)5)12-15(19)2/h8-12,14,21,23,29H,7,13H2,1-6H3
InChIKeyXNQOXOLGAJOTRX-UHFFFAOYSA-N
XLogP3.42
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (CID 21018432) is [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is CCc1nc(-c2cnc(N(C)C)cc2C)n(C)c(=O)c1NC1c2ccccc2CC1OC(C)=O.
What is the InChIKey of [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is XNQOXOLGAJOTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-7-20-24(29-23-18-11-9-8-10-17(18)13-21(23)34-16(3)32)26(33)31(6)25(28-20)19-14-27-22(30(4)5)12-15(19)2/h8-12,14,21,23,29H,7,13H2,1-6H3.
What are the key properties of [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 461.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 21018432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).