6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C18H23ClN4O3 — CID 9334866

IUPAC6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23ClN4O3/c1-4-9-23-16(20)15(17(25)22(3)18(23)26)14(24)10-21-11(2)12-5-7-13(19)8-6-12/h5-8,11,21H,4,9-10,20H2,1-3H3/t11-/m0/s1
InChIKeyMWVPQDNLQDADLQ-NSHDSACASA-N
MW378.86 g/mol
LogP1.73
Rot. Bonds7

About 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 9334866) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID9334866
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23ClN4O3/c1-4-9-23-16(20)15(17(25)22(3)18(23)26)14(24)10-21-11(2)12-5-7-13(19)8-6-12/h5-8,11,21H,4,9-10,20H2,1-3H3/t11-/m0/s1
InChIKeyMWVPQDNLQDADLQ-NSHDSACASA-N
XLogP1.73
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
CID 16606587
6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 8923342
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9129626
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867659
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555699
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433261
6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 27250075
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 9334866) is 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is MWVPQDNLQDADLQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-4-9-23-16(20)15(17(25)22(3)18(23)26)14(24)10-21-11(2)12-5-7-13(19)8-6-12/h5-8,11,21H,4,9-10,20H2,1-3H3/t11-/m0/s1.
What are the key properties of 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 378.86 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9334866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).