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

C7H8N4O — CID 2726801

IUPAC4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile
SMILESCOc1nc(C)nc(N)c1C#N
InChIInChI=1S/C7H8N4O/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11)
InChIKeyKHLKNDRAWAFBRH-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.25
Rot. Bonds1

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

4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile (PubChem CID 2726801) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile
PubChem CID2726801
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile
SMILESCOc1nc(C)nc(N)c1C#N
InChIInChI=1S/C7H8N4O/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11)
InChIKeyKHLKNDRAWAFBRH-UHFFFAOYSA-N
XLogP0.25
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile (CID 2726801) is 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile is COc1nc(C)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile?
The InChIKey is KHLKNDRAWAFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile?
4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile has a molecular weight of 164.17 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2726801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).