4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile

C14H14N4O — CID 116647095

IUPAC4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(Cc2nc(C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C14H14N4O/c1-9-12(8-15)14(16)18-13(17-9)7-10-3-5-11(19-2)6-4-10/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeySDIQMSZHNDXGKU-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.84
Rot. Bonds3

About 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile

4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile (PubChem CID 116647095) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
PubChem CID116647095
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(Cc2nc(C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C14H14N4O/c1-9-12(8-15)14(16)18-13(17-9)7-10-3-5-11(19-2)6-4-10/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeySDIQMSZHNDXGKU-UHFFFAOYSA-N
XLogP1.84
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile (CID 116647095) is 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile is COc1ccc(Cc2nc(C)c(C#N)c(N)n2)cc1.
What is the InChIKey of 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
The InChIKey is SDIQMSZHNDXGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-12(8-15)14(16)18-13(17-9)7-10-3-5-11(19-2)6-4-10/h3-6H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile?
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116647095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).