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

C20H21N5O2 — CID 24928810

IUPAC6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
InChIInChI=1S/C20H21N5O2/c1-26-17-3-4-19(27-2)14(7-17)11-25-6-5-18-16(12-25)10-23-20(24-18)15-8-21-13-22-9-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyGLXOZDWCKHUGOW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.51
Rot. Bonds5

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

6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928810) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928810
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
InChIInChI=1S/C20H21N5O2/c1-26-17-3-4-19(27-2)14(7-17)11-25-6-5-18-16(12-25)10-23-20(24-18)15-8-21-13-22-9-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyGLXOZDWCKHUGOW-UHFFFAOYSA-N
XLogP2.51
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928812
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911314
6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917067
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
CID 146071393
6-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911062
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929587
6-[(2,5-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928738
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911308
6-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916270
2-(4-chlorophenyl)-6-[(4-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913713
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928810) is 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(OC)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GLXOZDWCKHUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-26-17-3-4-19(27-2)14(7-17)11-25-6-5-18-16(12-25)10-23-20(24-18)15-8-21-13-22-9-15/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 363.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).