2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H12ClN5O — CID 166257711

IUPAC2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C13H12ClN5O/c1-20-10-3-2-8(6-16-10)7-17-12-9-4-5-15-11(9)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19)
InChIKeyLRYFTGONUJUVLN-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166257711) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166257711
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C13H12ClN5O/c1-20-10-3-2-8(6-16-10)7-17-12-9-4-5-15-11(9)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19)
InChIKeyLRYFTGONUJUVLN-UHFFFAOYSA-N
XLogP2.63
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257730
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167947731
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80809905
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166257711) is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LRYFTGONUJUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-20-10-3-2-8(6-16-10)7-17-12-9-4-5-15-11(9)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166257711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).