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

C15H16ClN5O2 — CID 11279051

IUPAC2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O2/c1-7-5-18-10(8(2)12(7)23-3)6-21-11(22)4-9-13(16)19-15(17)20-14(9)21/h5H,4,6H2,1-3H3,(H2,17,19,20)
InChIKeyOKNZIPMFCKVSGB-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 11279051) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID11279051
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O2/c1-7-5-18-10(8(2)12(7)23-3)6-21-11(22)4-9-13(16)19-15(17)20-14(9)21/h5H,4,6H2,1-3H3,(H2,17,19,20)
InChIKeyOKNZIPMFCKVSGB-UHFFFAOYSA-N
XLogP1.82
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 11279051) is 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is OKNZIPMFCKVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-7-5-18-10(8(2)12(7)23-3)6-21-11(22)4-9-13(16)19-15(17)20-14(9)21/h5H,4,6H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 333.78 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 11279051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).