2-amino-4-methoxypyrimidine-5-carbonitrile

C6H6N4O — CID 12862263

IUPAC2-amino-4-methoxypyrimidine-5-carbonitrile
SMILESCOc1nc(N)ncc1C#N
InChIInChI=1S/C6H6N4O/c1-11-5-4(2-7)3-9-6(8)10-5/h3H,1H3,(H2,8,9,10)
InChIKeyAQWHMZLJILFROC-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.06
Rot. Bonds1

About 2-amino-4-methoxypyrimidine-5-carbonitrile

2-amino-4-methoxypyrimidine-5-carbonitrile (PubChem CID 12862263) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-amino-4-methoxypyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methoxypyrimidine-5-carbonitrile
PubChem CID12862263
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-amino-4-methoxypyrimidine-5-carbonitrile
SMILESCOc1nc(N)ncc1C#N
InChIInChI=1S/C6H6N4O/c1-11-5-4(2-7)3-9-6(8)10-5/h3H,1H3,(H2,8,9,10)
InChIKeyAQWHMZLJILFROC-UHFFFAOYSA-N
XLogP-0.06
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
4-Methoxy-2-pyrimidinamine
CID 67428
5-Iodo-2,4-dimethoxypyrimidine
CID 263416
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
5-Ethynyl-2,4-dimethoxypyrimidine
CID 5273946
5-Iodo-4-methoxypyrimidine
CID 10561760
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxypyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methoxypyrimidine-5-carbonitrile (CID 12862263) is 2-amino-4-methoxypyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methoxypyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methoxypyrimidine-5-carbonitrile is COc1nc(N)ncc1C#N.
What is the InChIKey of 2-amino-4-methoxypyrimidine-5-carbonitrile?
The InChIKey is AQWHMZLJILFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-11-5-4(2-7)3-9-6(8)10-5/h3H,1H3,(H2,8,9,10).
What are the key properties of 2-amino-4-methoxypyrimidine-5-carbonitrile?
2-amino-4-methoxypyrimidine-5-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxypyrimidine-5-carbonitrile is sourced from PubChem (CID 12862263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).