6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione

C13H15ClN4O2 — CID 60666954

IUPAC6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCC(Nc1c(N)n(C)c(=O)[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-7(8-3-5-9(14)6-4-8)16-10-11(15)18(2)13(20)17-12(10)19/h3-7,16H,15H2,1-2H3,(H,17,19,20)
InChIKeyCKXAWFUGTCHALU-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.48
Rot. Bonds3

About 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 60666954) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
PubChem CID60666954
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCC(Nc1c(N)n(C)c(=O)[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-7(8-3-5-9(14)6-4-8)16-10-11(15)18(2)13(20)17-12(10)19/h3-7,16H,15H2,1-2H3,(H,17,19,20)
InChIKeyCKXAWFUGTCHALU-UHFFFAOYSA-N
XLogP1.48
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-ethyl-5-[1-(4-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 60967574
6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
CID 60649248
6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
CID 63091923
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
CID 62840509
6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione
CID 61480086
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione (CID 60666954) is 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione is CC(Nc1c(N)n(C)c(=O)[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is CKXAWFUGTCHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7(8-3-5-9(14)6-4-8)16-10-11(15)18(2)13(20)17-12(10)19/h3-7,16H,15H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 294.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60666954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).