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

C15H17N5OS — CID 16733035

IUPAC5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)
InChIKeyUZEDXSRWQFXBPE-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.84
Rot. Bonds4

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

5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 16733035) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID16733035
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20)
InChIKeyUZEDXSRWQFXBPE-UHFFFAOYSA-N
XLogP2.84
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 16733035) is 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12.
What is the InChIKey of 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UZEDXSRWQFXBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-3-10-11-12(16)18-15(17)20-13(11)19-14(10)22-9-6-4-5-8(7-9)21-2/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20).
What are the key properties of 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 16733035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).