2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H21N7 — CID 24917550

IUPAC2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(CN2CCc3nc(-c4cncnc4)ncc3C2)n(C)c1C
InChIInChI=1S/C18H21N7/c1-12-13(2)24(3)17(22-12)10-25-5-4-16-15(9-25)8-21-18(23-16)14-6-19-11-20-7-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyGLYBUVXZHSNWPC-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.84
Rot. Bonds3

About 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917550) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917550
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(CN2CCc3nc(-c4cncnc4)ncc3C2)n(C)c1C
InChIInChI=1S/C18H21N7/c1-12-13(2)24(3)17(22-12)10-25-5-4-16-15(9-25)8-21-18(23-16)14-6-19-11-20-7-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyGLYBUVXZHSNWPC-UHFFFAOYSA-N
XLogP1.84
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913372
2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24913204
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910180
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917067
6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912826
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
4-methyl-5-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930900
2-amino-6,7-dimethyl-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910432
6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915976

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917550) is 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(CN2CCc3nc(-c4cncnc4)ncc3C2)n(C)c1C.
What is the InChIKey of 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GLYBUVXZHSNWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-12-13(2)24(3)17(22-12)10-25-5-4-16-15(9-25)8-21-18(23-16)14-6-19-11-20-7-14/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 335.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).