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

C15H16ClN5O — CID 58014058

IUPAC5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)cnc(Cn2cc(Cl)c3cnc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O/c1-8-4-18-12(9(2)13(8)22-3)7-21-6-11(16)10-5-19-15(17)20-14(10)21/h4-6H,7H2,1-3H3,(H2,17,19,20)
InChIKeySHXSTCBECGOXCY-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.74
Rot. Bonds3

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

5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58014058) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58014058
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)cnc(Cn2cc(Cl)c3cnc(N)nc32)c1C
InChIInChI=1S/C15H16ClN5O/c1-8-4-18-12(9(2)13(8)22-3)7-21-6-11(16)10-5-19-15(17)20-14(10)21/h4-6H,7H2,1-3H3,(H2,17,19,20)
InChIKeySHXSTCBECGOXCY-UHFFFAOYSA-N
XLogP2.74
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]propane-1,2,3-triol
CID 88579138
4-chloro-5-(3-fluoropropyl)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579435
4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
CID 89173388
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2-(dimethylamino)acetate
CID 88579445
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
CID 58278633
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
4-chloro-N-ethynyl-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 87090343
4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579492
(2S)-2-amino-4-[4-[2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenoxy]butanoic acid
CID 45377258
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 55048942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 58014058) is 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1c(C)cnc(Cn2cc(Cl)c3cnc(N)nc32)c1C.
What is the InChIKey of 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is SHXSTCBECGOXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-8-4-18-12(9(2)13(8)22-3)7-21-6-11(16)10-5-19-15(17)20-14(10)21/h4-6H,7H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 317.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58014058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).