6-(methylamino)pyrimidine-4-carbonitrile

C6H6N4 — CID 22498876

IUPAC6-(methylamino)pyrimidine-4-carbonitrile
SMILESCNc1cc(C#N)ncn1
InChIInChI=1S/C6H6N4/c1-8-6-2-5(3-7)9-4-10-6/h2,4H,1H3,(H,8,9,10)
InChIKeyDCJDZFSOHCUTJC-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.39
Rot. Bonds1

About 6-(methylamino)pyrimidine-4-carbonitrile

6-(methylamino)pyrimidine-4-carbonitrile (PubChem CID 22498876) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 6-(methylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(methylamino)pyrimidine-4-carbonitrile
PubChem CID22498876
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name6-(methylamino)pyrimidine-4-carbonitrile
SMILESCNc1cc(C#N)ncn1
InChIInChI=1S/C6H6N4/c1-8-6-2-5(3-7)9-4-10-6/h2,4H,1H3,(H,8,9,10)
InChIKeyDCJDZFSOHCUTJC-UHFFFAOYSA-N
XLogP0.39
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(methylamino)pyrimidine-4-carbonitrile (CID 22498876) is 6-(methylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(methylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(methylamino)pyrimidine-4-carbonitrile is CNc1cc(C#N)ncn1.
What is the InChIKey of 6-(methylamino)pyrimidine-4-carbonitrile?
The InChIKey is DCJDZFSOHCUTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-8-6-2-5(3-7)9-4-10-6/h2,4H,1H3,(H,8,9,10).
What are the key properties of 6-(methylamino)pyrimidine-4-carbonitrile?
6-(methylamino)pyrimidine-4-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 22498876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).