5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C14H15N5 — CID 86580355

IUPAC5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1
InChIInChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19)
InChIKeyMGQFVODICYACIT-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds3

About 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86580355) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID86580355
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1
InChIInChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19)
InChIKeyMGQFVODICYACIT-UHFFFAOYSA-N
XLogP1.91
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 86580355) is 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1.
What is the InChIKey of 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MGQFVODICYACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19).
What are the key properties of 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86580355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).