4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

C15H13FN6 — CID 155928382

IUPAC4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21)
InChIKeyBJAJDULYKUREBF-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.17
Rot. Bonds3

About 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 155928382) has the molecular formula C15H13FN6 and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID155928382
Molecular FormulaC15H13FN6
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc21
InChIInChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21)
InChIKeyBJAJDULYKUREBF-UHFFFAOYSA-N
XLogP2.17
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 155928382) is 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc21.
What is the InChIKey of 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is BJAJDULYKUREBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21).
What are the key properties of 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 296.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(2-fluorophenyl)methylamino]-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155928382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).