2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one

C15H17ClN6O2 — CID 25158767

IUPAC2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)Nc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)5-22-6-10(23)19-11-13(16)20-15(17)21-14(11)22/h4H,5-6H2,1-3H3,(H,19,23)(H2,17,20,21)
InChIKeyMEWVWDLYUJAIJK-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one (PubChem CID 25158767) has the molecular formula C15H17ClN6O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
PubChem CID25158767
Molecular FormulaC15H17ClN6O2
Molecular Weight348.79 g/mol
Exact Mass348.11
IUPAC Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)Nc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)5-22-6-10(23)19-11-13(16)20-15(17)21-14(11)22/h4H,5-6H2,1-3H3,(H,19,23)(H2,17,20,21)
InChIKeyMEWVWDLYUJAIJK-UHFFFAOYSA-N
XLogP1.69
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one (CID 25158767) is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one is COc1c(C)cnc(CN2CC(=O)Nc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The InChIKey is MEWVWDLYUJAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)5-22-6-10(23)19-11-13(16)20-15(17)21-14(11)22/h4H,5-6H2,1-3H3,(H,19,23)(H2,17,20,21).
What are the key properties of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one has a molecular weight of 348.79 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 25158767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).