6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C18H22ClN5O3 — CID 2437213

IUPAC6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H22ClN5O3/c1-21-16(20)15(17(26)22(2)18(21)27)14(25)11-23-6-8-24(9-7-23)13-5-3-4-12(19)10-13/h3-5,10H,6-9,11,20H2,1-2H3
InChIKeyDVRYDSCDCBNYOJ-UHFFFAOYSA-N
MW391.86 g/mol
LogP0.32
Rot. Bonds4

About 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2437213) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2437213
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H22ClN5O3/c1-21-16(20)15(17(26)22(2)18(21)27)14(25)11-23-6-8-24(9-7-23)13-5-3-4-12(19)10-13/h3-5,10H,6-9,11,20H2,1-2H3
InChIKeyDVRYDSCDCBNYOJ-UHFFFAOYSA-N
XLogP0.32
TPSA93.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
6-amino-5-[2-(2,4-dichlorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2479912
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 110654229
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 42589979

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2437213) is 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DVRYDSCDCBNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-21-16(20)15(17(26)22(2)18(21)27)14(25)11-23-6-8-24(9-7-23)13-5-3-4-12(19)10-13/h3-5,10H,6-9,11,20H2,1-2H3.
What are the key properties of 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 391.86 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2437213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).