2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one

C18H22N6O3 — CID 71061998

IUPAC2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one
SMILESCOc1ncccc1N(C)c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
InChIInChI=1S/C18H22N6O3/c1-22(13-5-4-8-19-16(13)26-3)17-20-11-14-15(21-17)24(18(25)23(14)2)12-6-9-27-10-7-12/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyMUHBATKSCLQFNX-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one

2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one (PubChem CID 71061998) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one
PubChem CID71061998
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one
SMILESCOc1ncccc1N(C)c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
InChIInChI=1S/C18H22N6O3/c1-22(13-5-4-8-19-16(13)26-3)17-20-11-14-15(21-17)24(18(25)23(14)2)12-6-9-27-10-7-12/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyMUHBATKSCLQFNX-UHFFFAOYSA-N
XLogP1.65
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(5-methoxy-3-methyl-2-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 156889807
7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
CID 67123670
4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381699
N'-[4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-pyridinyl]methanimidamide;molecular hydrogen
CID 177365111
2-fluoro-3-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzonitrile
CID 156889767
ethane;methyl 2-fluoro-5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzoate
CID 178120200
2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
CID 71062050
2-[(6-deuteriooxy-4-methyl-3-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 168776530
4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-(2-methylpyrazol-3-yl)benzonitrile
CID 164544728
5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]thiophene-2-carboxamide
CID 156889706
2-chloro-7-methyl-9-[(7R)-4-oxaspiro[2.5]octan-7-yl]purin-8-one
CID 164544813
2-hydroxy-5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzamide
CID 156889796

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one (CID 71061998) is 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one is COc1ncccc1N(C)c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one?
The InChIKey is MUHBATKSCLQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-22(13-5-4-8-19-16(13)26-3)17-20-11-14-15(21-17)24(18(25)23(14)2)12-6-9-27-10-7-12/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one?
2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one has a molecular weight of 370.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one is sourced from PubChem (CID 71061998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).