6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione

C23H25ClN4O3 — CID 2483737

IUPAC6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25ClN4O3/c1-3-27-22(30)20(19(29)15-26(2)13-17-10-7-11-18(24)12-17)21(25)28(23(27)31)14-16-8-5-4-6-9-16/h4-12H,3,13-15,25H2,1-2H3
InChIKeyPSIDOBRSXZVHEF-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.63
Rot. Bonds8

About 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione (PubChem CID 2483737) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
PubChem CID2483737
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25ClN4O3/c1-3-27-22(30)20(19(29)15-26(2)13-17-10-7-11-18(24)12-17)21(25)28(23(27)31)14-16-8-5-4-6-9-16/h4-12H,3,13-15,25H2,1-2H3
InChIKeyPSIDOBRSXZVHEF-UHFFFAOYSA-N
XLogP2.63
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-benzyl-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2115380
6-amino-1-benzyl-3-ethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685172
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27249624
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-3-methylbutanamide
CID 169167801
6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione
CID 78820474
6-amino-1-benzyl-5-[2-(5-chloro-2-fluoroanilino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 24583415
6-amino-1-benzyl-5-(2-benzylsulfanylacetyl)-3-ethylpyrimidine-2,4-dione
CID 8549023
6-amino-1-benzyl-5-[2-(benzylamino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 169167925
6-amino-1-benzyl-5-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 55838723
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-1-benzyl-5-[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55841447

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione (CID 2483737) is 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The InChIKey is PSIDOBRSXZVHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-3-27-22(30)20(19(29)15-26(2)13-17-10-7-11-18(24)12-17)21(25)28(23(27)31)14-16-8-5-4-6-9-16/h4-12H,3,13-15,25H2,1-2H3.
What are the key properties of 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione has a molecular weight of 440.93 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 2483737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).