2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C26H36N6O — CID 71240650

IUPAC2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOCCN(C)c1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C26H36N6O/c1-17(2)22-15-23(31(6)29-22)32-12-11-21-20(16-32)26(30(5)13-14-33-7)28-25(27-21)24-18(3)9-8-10-19(24)4/h8-10,15,17H,11-14,16H2,1-7H3
InChIKeyBGBOQBDRGADFBM-UHFFFAOYSA-N
MW448.62 g/mol
LogP4.26
Rot. Bonds7

About 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 71240650) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID71240650
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOCCN(C)c1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C26H36N6O/c1-17(2)22-15-23(31(6)29-22)32-12-11-21-20(16-32)26(30(5)13-14-33-7)28-25(27-21)24-18(3)9-8-10-19(24)4/h8-10,15,17H,11-14,16H2,1-7H3
InChIKeyBGBOQBDRGADFBM-UHFFFAOYSA-N
XLogP4.26
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240573
1-[2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 71244802
2-(1,3-dimethylindol-4-yl)-4-(3-methylpiperazin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123990418
6-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240447
4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238867
N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7373755
1-[(2S,5R)-4-[2-(2,6-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 71244797
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380189
N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7351087
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-ethoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244801
N-(2,3-dimethylphenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7218489
2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240462

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 71240650) is 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is COCCN(C)c1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)nn1C)CC2.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is BGBOQBDRGADFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-17(2)22-15-23(31(6)29-22)32-12-11-21-20(16-32)26(30(5)13-14-33-7)28-25(27-21)24-18(3)9-8-10-19(24)4/h8-10,15,17H,11-14,16H2,1-7H3.
What are the key properties of 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 448.62 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71240650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).