3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile

C15H17N5 — CID 80822866

IUPAC3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
SMILESCCCc1c(N)ncnc1Nc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N5/c1-3-4-12-14(17)18-9-19-15(12)20-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyFHEQEJBRPVNEHJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.93
Rot. Bonds4

About 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile

3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile (PubChem CID 80822866) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
PubChem CID80822866
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
SMILESCCCc1c(N)ncnc1Nc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N5/c1-3-4-12-14(17)18-9-19-15(12)20-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyFHEQEJBRPVNEHJ-UHFFFAOYSA-N
XLogP2.93
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The IUPAC name of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile (CID 80822866) is 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The canonical SMILES for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile is CCCc1c(N)ncnc1Nc1cc(C#N)ccc1C.
What is the InChIKey of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The InChIKey is FHEQEJBRPVNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-4-12-14(17)18-9-19-15(12)20-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 80822866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).