2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide

C14H21N5O — CID 3130268

IUPAC2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(C)cc(C)n1
InChIInChI=1S/C14H21N5O/c1-6-18(7-2)13(20)12(5)19(9-15)14-16-10(3)8-11(4)17-14/h8,12H,6-7H2,1-5H3
InChIKeyGBVUGEAFZRCMRF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.64
Rot. Bonds5

About 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide

2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide (PubChem CID 3130268) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide
PubChem CID3130268
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(C)cc(C)n1
InChIInChI=1S/C14H21N5O/c1-6-18(7-2)13(20)12(5)19(9-15)14-16-10(3)8-11(4)17-14/h8,12H,6-7H2,1-5H3
InChIKeyGBVUGEAFZRCMRF-UHFFFAOYSA-N
XLogP1.64
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide (CID 3130268) is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C#N)c1nc(C)cc(C)n1.
What is the InChIKey of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide?
The InChIKey is GBVUGEAFZRCMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-6-18(7-2)13(20)12(5)19(9-15)14-16-10(3)8-11(4)17-14/h8,12H,6-7H2,1-5H3.
What are the key properties of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide?
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide has a molecular weight of 275.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 3130268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).