2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one

C15H16ClN5O2 — CID 11151765

IUPAC2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one
SMILESCOc1c(C)ncc(CN2CC(=O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O2/c1-7-9(4-18-8(2)12(7)23-3)5-21-6-10(22)11-13(16)19-15(17)20-14(11)21/h4H,5-6H2,1-3H3,(H2,17,19,20)
InChIKeyLRWWKPRKLZLYHR-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one

2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one (PubChem CID 11151765) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one
PubChem CID11151765
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one
SMILESCOc1c(C)ncc(CN2CC(=O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O2/c1-7-9(4-18-8(2)12(7)23-3)5-21-6-10(22)11-13(16)19-15(17)20-14(11)21/h4H,5-6H2,1-3H3,(H2,17,19,20)
InChIKeyLRWWKPRKLZLYHR-UHFFFAOYSA-N
XLogP1.94
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one (CID 11151765) is 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one is COc1c(C)ncc(CN2CC(=O)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one?
The InChIKey is LRWWKPRKLZLYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-7-9(4-18-8(2)12(7)23-3)5-21-6-10(22)11-13(16)19-15(17)20-14(11)21/h4H,5-6H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one?
2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one has a molecular weight of 333.78 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 11151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).