2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile

C7H10N6 — CID 1482505

IUPAC2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)nc(N)c1C#N
InChIInChI=1S/C7H10N6/c1-13(2)6-4(3-8)5(9)11-7(10)12-6/h1-2H3,(H4,9,10,11,12)
InChIKeyRPPPIYLAPHYHOZ-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.42
Rot. Bonds1

About 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile

2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile (PubChem CID 1482505) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile
PubChem CID1482505
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)nc(N)c1C#N
InChIInChI=1S/C7H10N6/c1-13(2)6-4(3-8)5(9)11-7(10)12-6/h1-2H3,(H4,9,10,11,12)
InChIKeyRPPPIYLAPHYHOZ-UHFFFAOYSA-N
XLogP-0.42
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile (CID 1482505) is 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile is CN(C)c1nc(N)nc(N)c1C#N.
What is the InChIKey of 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile?
The InChIKey is RPPPIYLAPHYHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13(2)6-4(3-8)5(9)11-7(10)12-6/h1-2H3,(H4,9,10,11,12).
What are the key properties of 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile?
2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile has a molecular weight of 178.20 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(dimethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 1482505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).