2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile

C15H15N5 — CID 107801851

IUPAC2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2cc(N)nc(C3CC3)n2)c1C#N
InChIInChI=1S/C15H15N5/c1-9-3-2-4-12(11(9)8-16)18-14-7-13(17)19-15(20-14)10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H3,17,18,19,20)
InChIKeyAFDQVKXOOLOZNL-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.86
Rot. Bonds3

About 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile (PubChem CID 107801851) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
PubChem CID107801851
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2cc(N)nc(C3CC3)n2)c1C#N
InChIInChI=1S/C15H15N5/c1-9-3-2-4-12(11(9)8-16)18-14-7-13(17)19-15(20-14)10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H3,17,18,19,20)
InChIKeyAFDQVKXOOLOZNL-UHFFFAOYSA-N
XLogP2.86
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile (CID 107801851) is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile is Cc1cccc(Nc2cc(N)nc(C3CC3)n2)c1C#N.
What is the InChIKey of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The InChIKey is AFDQVKXOOLOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-3-2-4-12(11(9)8-16)18-14-7-13(17)19-15(20-14)10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107801851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).