1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one

C21H25N3O2 — CID 90909563

IUPAC1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one
SMILESCCC(=O)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(OC)cc1C
InChIInChI=1S/C21H25N3O2/c1-8-17(25)19-18-13(4)14(5)24(21(18)23-15(6)22-19)20-11(2)9-16(26-7)10-12(20)3/h9-10H,8H2,1-7H3
InChIKeyRNWXLANOYHBJIR-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.56
Rot. Bonds4

About 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one

1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one (PubChem CID 90909563) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one
PubChem CID90909563
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one
SMILESCCC(=O)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(OC)cc1C
InChIInChI=1S/C21H25N3O2/c1-8-17(25)19-18-13(4)14(5)24(21(18)23-15(6)22-19)20-11(2)9-16(26-7)10-12(20)3/h9-10H,8H2,1-7H3
InChIKeyRNWXLANOYHBJIR-UHFFFAOYSA-N
XLogP4.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(2,4-dimethoxyphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]ethanone
CID 18629401
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
2H-Imidazol-2-ylidene, 1,3-dihydro-1,3-bis(4-methoxy-2,6-dimethylphenyl)-4,5-dimethyl-
CID 162419357
(NE)-N-[1-[7-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]propylidene]hydroxylamine
CID 135432989
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
1-(4-methoxy-2,6-dimethylphenyl)-7-methyl-5-propyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine
CID 91298589
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
CID 10923264
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
ethyl 4-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate
CID 3989991

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one?
The IUPAC name of 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one (CID 90909563) is 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one?
The canonical SMILES for 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one is CCC(=O)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(OC)cc1C.
What is the InChIKey of 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one?
The InChIKey is RNWXLANOYHBJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-8-17(25)19-18-13(4)14(5)24(21(18)23-15(6)22-19)20-11(2)9-16(26-7)10-12(20)3/h9-10H,8H2,1-7H3.
What are the key properties of 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one?
1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]propan-1-one is sourced from PubChem (CID 90909563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).