5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C14H15N5OS — CID 11243544

IUPAC5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1Sc1c(C)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C14H15N5OS/c1-7-11(21-9-6-4-3-5-8(9)20-2)10-12(15)18-14(16)19-13(10)17-7/h3-6H,1-2H3,(H5,15,16,17,18,19)
InChIKeyIFZMLXICVZWROA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.59
Rot. Bonds3

About 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 11243544) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID11243544
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1Sc1c(C)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C14H15N5OS/c1-7-11(21-9-6-4-3-5-8(9)20-2)10-12(15)18-14(16)19-13(10)17-7/h3-6H,1-2H3,(H5,15,16,17,18,19)
InChIKeyIFZMLXICVZWROA-UHFFFAOYSA-N
XLogP2.59
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 11243544) is 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1ccccc1Sc1c(C)[nH]c2nc(N)nc(N)c12.
What is the InChIKey of 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IFZMLXICVZWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7-11(21-9-6-4-3-5-8(9)20-2)10-12(15)18-14(16)19-13(10)17-7/h3-6H,1-2H3,(H5,15,16,17,18,19).
What are the key properties of 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 301.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11243544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).