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

C7H9N5 — CID 53407869

IUPAC4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1ncc(C#N)c(N)n1
InChIInChI=1S/C7H9N5/c1-12(2)7-10-4-5(3-8)6(9)11-7/h4H,1-2H3,(H2,9,10,11)
InChIKeyJZQHKLDEVDEBQD-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.00
Rot. Bonds1

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

4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile (PubChem CID 53407869) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
PubChem CID53407869
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1ncc(C#N)c(N)n1
InChIInChI=1S/C7H9N5/c1-12(2)7-10-4-5(3-8)6(9)11-7/h4H,1-2H3,(H2,9,10,11)
InChIKeyJZQHKLDEVDEBQD-UHFFFAOYSA-N
XLogP-0.00
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile (CID 53407869) is 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile is CN(C)c1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile?
The InChIKey is JZQHKLDEVDEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-12(2)7-10-4-5(3-8)6(9)11-7/h4H,1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile?
4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 53407869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).