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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Related Compounds

4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
CID 116647027
4-amino-2-(ethoxymethyl)-6-methylpyrimidine-5-carbonitrile
CID 116647044
4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
CID 116646992
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile
CID 116647054
4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 83240227
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 66307241
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680

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).