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

C19H23ClFN5O3 — CID 37385330

IUPAC6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H23ClFN5O3/c1-23-17(22)16(18(28)24(2)19(23)29)15(27)11-26-7-5-25(6-8-26)10-12-3-4-13(21)9-14(12)20/h3-4,9H,5-8,10-11,22H2,1-2H3
InChIKeyAEHNCHNZSNZGKR-UHFFFAOYSA-N
MW423.88 g/mol
LogP0.46
Rot. Bonds5

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

6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 37385330) has the molecular formula C19H23ClFN5O3 and a molecular weight of 423.88 g/mol. Its IUPAC name is 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID37385330
Molecular FormulaC19H23ClFN5O3
Molecular Weight423.88 g/mol
Exact Mass423.15
IUPAC Name6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H23ClFN5O3/c1-23-17(22)16(18(28)24(2)19(23)29)15(27)11-26-7-5-25(6-8-26)10-12-3-4-13(21)9-14(12)20/h3-4,9H,5-8,10-11,22H2,1-2H3
InChIKeyAEHNCHNZSNZGKR-UHFFFAOYSA-N
XLogP0.46
TPSA93.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
1-[(2-chloro-4-fluorophenyl)methyl]-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 86795518
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167782
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982448
6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 2374101
6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584907
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55648630
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 37385330) is 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AEHNCHNZSNZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN5O3/c1-23-17(22)16(18(28)24(2)19(23)29)15(27)11-26-7-5-25(6-8-26)10-12-3-4-13(21)9-14(12)20/h3-4,9H,5-8,10-11,22H2,1-2H3.
What are the key properties of 6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 423.88 g/mol, XLogP of 0.46, 5 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-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 37385330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).