4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile

C12H10N4O — CID 12862277

IUPAC4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyUFJUMNIVIHSHJR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.61
Rot. Bonds2

About 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile

4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile (PubChem CID 12862277) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
PubChem CID12862277
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)n1
InChIInChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16)
InChIKeyUFJUMNIVIHSHJR-UHFFFAOYSA-N
XLogP1.61
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile (CID 12862277) is 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile is COc1nc(N)c(C#N)c(-c2ccccc2)n1.
What is the InChIKey of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is UFJUMNIVIHSHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile?
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 12862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).