2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

C19H16N4O2 — CID 166632961

IUPAC2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cc(OC)cc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C19H16N4O2/c1-24-14-8-13(9-15(10-14)25-2)18-16(11-20)17(22-19(21)23-18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,22,23)
InChIKeySZQFSZMJTLCNNM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.28
Rot. Bonds4

About 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166632961) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166632961
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cc(OC)cc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C19H16N4O2/c1-24-14-8-13(9-15(10-14)25-2)18-16(11-20)17(22-19(21)23-18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,22,23)
InChIKeySZQFSZMJTLCNNM-UHFFFAOYSA-N
XLogP3.28
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166632961) is 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is COc1cc(OC)cc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is SZQFSZMJTLCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-14-8-13(9-15(10-14)25-2)18-16(11-20)17(22-19(21)23-18)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,22,23).
What are the key properties of 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166632961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).