4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile

C12H18N6 — CID 10586527

IUPAC4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(N2CCCCC2)n1
InChIInChI=1S/C12H18N6/c1-17(2)12-15-10(14)9(8-13)11(16-12)18-6-4-3-5-7-18/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyRHYKUTSFAKSCGM-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.99
Rot. Bonds2

About 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile

4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 10586527) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID10586527
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(N2CCCCC2)n1
InChIInChI=1S/C12H18N6/c1-17(2)12-15-10(14)9(8-13)11(16-12)18-6-4-3-5-7-18/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyRHYKUTSFAKSCGM-UHFFFAOYSA-N
XLogP0.99
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile (CID 10586527) is 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile is CN(C)c1nc(N)c(C#N)c(N2CCCCC2)n1.
What is the InChIKey of 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is RHYKUTSFAKSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17(2)12-15-10(14)9(8-13)11(16-12)18-6-4-3-5-7-18/h3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile?
4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 246.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 10586527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).