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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Related Compounds

N2-((1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl)-3,6-diethyl-N5-(4-methylpyridin-2-yl)pyrazine-2,5-diamine
CID 44443655
N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide
CID 71925183
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3,6-dimethylpyrimidin-4-one
CID 10311511
5-[[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3,6-dimethyl-2-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-one
CID 58606675
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-6-ethyl-3-methylpyrimidin-4-one
CID 69843882
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-6-ethyl-3-methylpyrimidin-4-one
CID 69843883
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3,6-dimethylpyrimidin-4-one
CID 69843939
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3,6-diethylpyrimidin-4-one
CID 70030129
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3,6-diethylpyrimidin-4-one
CID 70030131
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3-ethyl-6-methylpyrimidin-4-one
CID 70032440
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(3R,4R)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3-ethyl-6-methylpyrimidin-4-one
CID 70032441
2-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[[(4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]-3,6-dimethylpyrimidin-4-one
CID 140465158

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).