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

C15H15ClN6O2 — CID 45270669

IUPAC2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one
SMILESCOc1c(C)cnc(Cn2c(=O)cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H15ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)6-22-10(23)5-19-11-13(16)20-15(17)21-14(11)22/h4-5H,6H2,1-3H3,(H2,17,20,21)
InChIKeyKKHMVKHDFNVZBX-UHFFFAOYSA-N
MW346.78 g/mol
LogP1.49
Rot. Bonds3

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

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one (PubChem CID 45270669) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one
PubChem CID45270669
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one
SMILESCOc1c(C)cnc(Cn2c(=O)cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H15ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)6-22-10(23)5-19-11-13(16)20-15(17)21-14(11)22/h4-5H,6H2,1-3H3,(H2,17,20,21)
InChIKeyKKHMVKHDFNVZBX-UHFFFAOYSA-N
XLogP1.49
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]pteridin-7-one?
The IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one (CID 45270669) is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one.
What is the SMILES notation for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one?
The canonical SMILES for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one is COc1c(C)cnc(Cn2c(=O)cnc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one?
The InChIKey is KKHMVKHDFNVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-7-4-18-9(8(2)12(7)24-3)6-22-10(23)5-19-11-13(16)20-15(17)21-14(11)22/h4-5H,6H2,1-3H3,(H2,17,20,21).
What are the key properties of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one?
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one has a molecular weight of 346.78 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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]pteridin-7-one is sourced from PubChem (CID 45270669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).