N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C18H15N5S — CID 11313605

IUPACN-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCSc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C18H15N5S/c1-24-15-6-4-5-14(11-15)21-18-20-12-13-8-10-23(17(13)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyZYDGRMLQVGNNRH-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.28
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11313605) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11313605
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC NameN-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCSc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
InChIInChI=1S/C18H15N5S/c1-24-15-6-4-5-14(11-15)21-18-20-12-13-8-10-23(17(13)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyZYDGRMLQVGNNRH-UHFFFAOYSA-N
XLogP4.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11313605) is N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is CSc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZYDGRMLQVGNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-24-15-6-4-5-14(11-15)21-18-20-12-13-8-10-23(17(13)22-18)16-7-2-3-9-19-16/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 333.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11313605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).