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

C17H20ClN5O2 — CID 11199248

IUPAC2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol
SMILESCOc1c(C)cnc(Cn2cc(CCO)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C17H20ClN5O2/c1-9-6-20-12(10(2)14(9)25-3)8-23-7-11(4-5-24)13-15(18)21-17(19)22-16(13)23/h6-7,24H,4-5,8H2,1-3H3,(H2,19,21,22)
InChIKeyGOADXANONHWKFZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.27
Rot. Bonds5

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

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol (PubChem CID 11199248) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol
PubChem CID11199248
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol
SMILESCOc1c(C)cnc(Cn2cc(CCO)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C17H20ClN5O2/c1-9-6-20-12(10(2)14(9)25-3)8-23-7-11(4-5-24)13-15(18)21-17(19)22-16(13)23/h6-7,24H,4-5,8H2,1-3H3,(H2,19,21,22)
InChIKeyGOADXANONHWKFZ-UHFFFAOYSA-N
XLogP2.27
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol (CID 11199248) is 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol is COc1c(C)cnc(Cn2cc(CCO)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol?
The InChIKey is GOADXANONHWKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-9-6-20-12(10(2)14(9)25-3)8-23-7-11(4-5-24)13-15(18)21-17(19)22-16(13)23/h6-7,24H,4-5,8H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol?
2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol has a molecular weight of 361.83 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 11199248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).