4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one

C18H22N6O3 — CID 59359775

IUPAC4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESCc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCCO4)nc32)cn1
InChIInChI=1S/C18H22N6O3/c1-11-4-5-12(7-20-11)8-24-9-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-3-2-6-26-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyRUUWYAPQWDXXJB-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one

4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one (PubChem CID 59359775) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
PubChem CID59359775
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESCc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCCO4)nc32)cn1
InChIInChI=1S/C18H22N6O3/c1-11-4-5-12(7-20-11)8-24-9-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-3-2-6-26-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyRUUWYAPQWDXXJB-UHFFFAOYSA-N
XLogP1.28
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one (CID 59359775) is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one is Cc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCCO4)nc32)cn1.
What is the InChIKey of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The InChIKey is RUUWYAPQWDXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-4-5-12(7-20-11)8-24-9-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-3-2-6-26-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,21,25)(H2,19,22,23).
What are the key properties of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one has a molecular weight of 370.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 59359775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).