2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one

C28H36N4O2 — CID 21018468

IUPAC2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2ccc(N(C)C)cc2C)n(CC)c1=O
InChIInChI=1S/C28H36N4O2/c1-7-23-26(30-25-22-13-11-10-12-19(22)17-24(25)34-9-3)28(33)32(8-2)27(29-23)21-15-14-20(31(5)6)16-18(21)4/h10-16,24-25,30H,7-9,17H2,1-6H3
InChIKeyYLLTWVNCDVNYTA-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.98
Rot. Bonds8

About 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one

2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one (PubChem CID 21018468) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one
PubChem CID21018468
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one
SMILESCCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2ccc(N(C)C)cc2C)n(CC)c1=O
InChIInChI=1S/C28H36N4O2/c1-7-23-26(30-25-22-13-11-10-12-19(22)17-24(25)34-9-3)28(33)32(8-2)27(29-23)21-15-14-20(31(5)6)16-18(21)4/h10-16,24-25,30H,7-9,17H2,1-6H3
InChIKeyYLLTWVNCDVNYTA-UHFFFAOYSA-N
XLogP4.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one (CID 21018468) is 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one is CCOC1Cc2ccccc2C1Nc1c(CC)nc(-c2ccc(N(C)C)cc2C)n(CC)c1=O.
What is the InChIKey of 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one?
The InChIKey is YLLTWVNCDVNYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-7-23-26(30-25-22-13-11-10-12-19(22)17-24(25)34-9-3)28(33)32(8-2)27(29-23)21-15-14-20(31(5)6)16-18(21)4/h10-16,24-25,30H,7-9,17H2,1-6H3.
What are the key properties of 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one?
2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one has a molecular weight of 460.62 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-methylphenyl]-5-[(2-ethoxy-2,3-dihydro-1H-inden-1-yl)amino]-3,6-diethylpyrimidin-4-one is sourced from PubChem (CID 21018468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).