6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H21N3 — CID 24928986

IUPAC6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1c(C)cccc1C)C2
InChIInChI=1S/C17H21N3/c1-12-5-4-6-13(2)16(12)11-20-8-7-17-15(10-20)9-18-14(3)19-17/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyZEORKZGGNAGCED-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.96
Rot. Bonds2

About 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928986) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928986
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1c(C)cccc1C)C2
InChIInChI=1S/C17H21N3/c1-12-5-4-6-13(2)16(12)11-20-8-7-17-15(10-20)9-18-14(3)19-17/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyZEORKZGGNAGCED-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-methyl-6-[(7-methyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909348
6-[(2-chloro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929133
6-[(2-chloro-6-methylphenyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929273
6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912897
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
4-[6-[(2-chloro-6-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24929274
6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910293
2-methyl-4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915795
2-methyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915144

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928986) is 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1c(C)cccc1C)C2.
What is the InChIKey of 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZEORKZGGNAGCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-5-4-6-13(2)16(12)11-20-8-7-17-15(10-20)9-18-14(3)19-17/h4-6,9H,7-8,10-11H2,1-3H3.
What are the key properties of 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 267.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).