5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C12H11N5 — CID 10537176

IUPAC5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c[nH]c2n1
InChIInChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17)
InChIKeyLEOTWBKRAWDNPV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.79
Rot. Bonds1

About 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 10537176) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID10537176
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c[nH]c2n1
InChIInChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17)
InChIKeyLEOTWBKRAWDNPV-UHFFFAOYSA-N
XLogP1.79
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 10537176) is 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(-c3ccccc3)c[nH]c2n1.
What is the InChIKey of 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LEOTWBKRAWDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17).
What are the key properties of 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 225.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10537176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).