4-amino-2,6-dimethylpyrimidine-5-carbonitrile

C7H8N4 — CID 2793863

IUPAC4-amino-2,6-dimethylpyrimidine-5-carbonitrile
SMILESCc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C7H8N4/c1-4-6(3-8)7(9)11-5(2)10-4/h1-2H3,(H2,9,10,11)
InChIKeyCEXUMRPXQINZGM-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.55
Rot. Bonds

About 4-amino-2,6-dimethylpyrimidine-5-carbonitrile

4-amino-2,6-dimethylpyrimidine-5-carbonitrile (PubChem CID 2793863) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 4-amino-2,6-dimethylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-dimethylpyrimidine-5-carbonitrile
PubChem CID2793863
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name4-amino-2,6-dimethylpyrimidine-5-carbonitrile
SMILESCc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C7H8N4/c1-4-6(3-8)7(9)11-5(2)10-4/h1-2H3,(H2,9,10,11)
InChIKeyCEXUMRPXQINZGM-UHFFFAOYSA-N
XLogP0.55
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-dimethylpyrimidine-5-carbonitrile (CID 2793863) is 4-amino-2,6-dimethylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-dimethylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-dimethylpyrimidine-5-carbonitrile is Cc1nc(C)c(C#N)c(N)n1.
What is the InChIKey of 4-amino-2,6-dimethylpyrimidine-5-carbonitrile?
The InChIKey is CEXUMRPXQINZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-4-6(3-8)7(9)11-5(2)10-4/h1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-2,6-dimethylpyrimidine-5-carbonitrile?
4-amino-2,6-dimethylpyrimidine-5-carbonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2793863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).