4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile

C8H11N5 — CID 44565836

IUPAC4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile
SMILESCNc1cc(N(C)C)nc(C#N)n1
InChIInChI=1S/C8H11N5/c1-10-6-4-8(13(2)3)12-7(5-9)11-6/h4H,1-3H3,(H,10,11,12)
InChIKeyCIEFSQMMQDXTCM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.46
Rot. Bonds2

About 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile

4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile (PubChem CID 44565836) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile
PubChem CID44565836
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile
SMILESCNc1cc(N(C)C)nc(C#N)n1
InChIInChI=1S/C8H11N5/c1-10-6-4-8(13(2)3)12-7(5-9)11-6/h4H,1-3H3,(H,10,11,12)
InChIKeyCIEFSQMMQDXTCM-UHFFFAOYSA-N
XLogP0.46
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile (CID 44565836) is 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile is CNc1cc(N(C)C)nc(C#N)n1.
What is the InChIKey of 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile?
The InChIKey is CIEFSQMMQDXTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-10-6-4-8(13(2)3)12-7(5-9)11-6/h4H,1-3H3,(H,10,11,12).
What are the key properties of 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile?
4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(methylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 44565836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).