2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide

C14H23ClN4O — CID 80953303

IUPAC2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-6-7-19(9-13(20)18(4)5)12-8-11(15)16-14(17-12)10(2)3/h8,10H,6-7,9H2,1-5H3
InChIKeyYJSCABBTKQYFAV-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.56
Rot. Bonds6

About 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 80953303) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID80953303
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-6-7-19(9-13(20)18(4)5)12-8-11(15)16-14(17-12)10(2)3/h8,10H,6-7,9H2,1-5H3
InChIKeyYJSCABBTKQYFAV-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide (CID 80953303) is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is YJSCABBTKQYFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-6-7-19(9-13(20)18(4)5)12-8-11(15)16-14(17-12)10(2)3/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 298.82 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80953303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).