4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C13H12N4O — CID 84728048

IUPAC4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C13H12N4O/c1-18-12-10-9(8-5-3-2-4-6-8)7-15-11(10)16-13(14)17-12/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyAKFNYJOTTSKXSC-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.22
Rot. Bonds2

About 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 84728048) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID84728048
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C13H12N4O/c1-18-12-10-9(8-5-3-2-4-6-8)7-15-11(10)16-13(14)17-12/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyAKFNYJOTTSKXSC-UHFFFAOYSA-N
XLogP2.22
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155251412
2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518911
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
CID 88687788
CID 88687788
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 59411368
N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
CID 23829139
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
2-methyl-4-phenyl-1H-pyrrol-3-amine
CID 67920960
6-methoxy-5-phenylpyridine-2-carboxylic acid
CID 46315031
5-chloro-4-methoxyquinazolin-2-amine
CID 84780949
[3-[4-methoxy-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 150561397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 84728048) is 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1nc(N)nc2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is AKFNYJOTTSKXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-12-10-9(8-5-3-2-4-6-8)7-15-11(10)16-13(14)17-12/h2-7H,1H3,(H3,14,15,16,17).
What are the key properties of 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 84728048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).