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

C26H33N5O2 — CID 21018482

IUPAC2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2cnc(N(C)C)cc2C)n(C)c1=O
InChIInChI=1S/C26H33N5O2/c1-7-20-24(29-23-18-12-10-9-11-17(18)14-21(23)33-8-2)26(32)31(6)25(28-20)19-15-27-22(30(4)5)13-16(19)3/h9-13,15,21,23,29H,7-8,14H2,1-6H3
InChIKeyBRNVBNWJTUULPT-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.89
Rot. Bonds7

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

2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one (PubChem CID 21018482) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one
PubChem CID21018482
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2cnc(N(C)C)cc2C)n(C)c1=O
InChIInChI=1S/C26H33N5O2/c1-7-20-24(29-23-18-12-10-9-11-17(18)14-21(23)33-8-2)26(32)31(6)25(28-20)19-15-27-22(30(4)5)13-16(19)3/h9-13,15,21,23,29H,7-8,14H2,1-6H3
InChIKeyBRNVBNWJTUULPT-UHFFFAOYSA-N
XLogP3.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one?
The IUPAC name of 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one (CID 21018482) is 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one is CCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2cnc(N(C)C)cc2C)n(C)c1=O.
What is the InChIKey of 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one?
The InChIKey is BRNVBNWJTUULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-7-20-24(29-23-18-12-10-9-11-17(18)14-21(23)33-8-2)26(32)31(6)25(28-20)19-15-27-22(30(4)5)13-16(19)3/h9-13,15,21,23,29H,7-8,14H2,1-6H3.
What are the key properties of 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one?
2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one has a molecular weight of 447.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-ethyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 21018482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).