4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile

C8H12N6 — CID 10607765

IUPAC4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(N(C)C)nc(N)c1C#N
InChIInChI=1S/C8H12N6/c1-11-7-5(4-9)6(10)12-8(13-7)14(2)3/h1-3H3,(H3,10,11,12,13)
InChIKeyKSGJBOGGOPRIMP-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.04
Rot. Bonds2

About 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile

4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile (PubChem CID 10607765) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile
PubChem CID10607765
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(N(C)C)nc(N)c1C#N
InChIInChI=1S/C8H12N6/c1-11-7-5(4-9)6(10)12-8(13-7)14(2)3/h1-3H3,(H3,10,11,12,13)
InChIKeyKSGJBOGGOPRIMP-UHFFFAOYSA-N
XLogP0.04
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile (CID 10607765) is 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile is CNc1nc(N(C)C)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile?
The InChIKey is KSGJBOGGOPRIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-11-7-5(4-9)6(10)12-8(13-7)14(2)3/h1-3H3,(H3,10,11,12,13).
What are the key properties of 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile?
4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile has a molecular weight of 192.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-6-(methylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 10607765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).