3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C12H19ClN4O — CID 80938791

IUPAC3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCCCc1nc(Cl)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-4-5-10-15-9(13)8-11(16-10)14-7-6-12(18)17(2)3/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyRAHKZQMEFIDIKE-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.97
Rot. Bonds6

About 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80938791) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80938791
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCCCc1nc(Cl)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-4-5-10-15-9(13)8-11(16-10)14-7-6-12(18)17(2)3/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyRAHKZQMEFIDIKE-UHFFFAOYSA-N
XLogP1.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
CID 114518283
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80938791) is 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CCCc1nc(Cl)cc(NCCC(=O)N(C)C)n1.
What is the InChIKey of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is RAHKZQMEFIDIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-5-10-15-9(13)8-11(16-10)14-7-6-12(18)17(2)3/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80938791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).