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

C9H13N5 — CID 2816412

IUPAC4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
SMILESCCN(CC)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H13N5/c1-3-14(4-2)9-12-6-7(5-10)8(11)13-9/h6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyKNVKJZMDXCOGRG-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.78
Rot. Bonds3

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

4-amino-2-(diethylamino)pyrimidine-5-carbonitrile (PubChem CID 2816412) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
PubChem CID2816412
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
SMILESCCN(CC)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H13N5/c1-3-14(4-2)9-12-6-7(5-10)8(11)13-9/h6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyKNVKJZMDXCOGRG-UHFFFAOYSA-N
XLogP0.78
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile (CID 2816412) is 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile is CCN(CC)c1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile?
The InChIKey is KNVKJZMDXCOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-14(4-2)9-12-6-7(5-10)8(11)13-9/h6H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile?
4-amino-2-(diethylamino)pyrimidine-5-carbonitrile has a molecular weight of 191.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2816412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).