5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C14H15N5S — CID 16733164

IUPAC5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19)
InChIKeyRXOBRUQVLQRTDA-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.84
Rot. Bonds3

About 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 16733164) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID16733164
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19)
InChIKeyRXOBRUQVLQRTDA-UHFFFAOYSA-N
XLogP2.84
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 16733164) is 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12.
What is the InChIKey of 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RXOBRUQVLQRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)20-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,15,16,17,18,19).
What are the key properties of 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 285.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 16733164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).