1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione

C19H26N4O2 — CID 19012064

IUPAC1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(CCCc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H26N4O2/c1-20-17(15-18(24)21(2)19(20)25)23-13-11-22(12-14-23)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyDVEHKDCFSVEICA-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.84
Rot. Bonds5

About 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 19012064) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID19012064
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(CCCc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H26N4O2/c1-20-17(15-18(24)21(2)19(20)25)23-13-11-22(12-14-23)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyDVEHKDCFSVEICA-UHFFFAOYSA-N
XLogP0.84
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzoyl-2-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propyl]benzonitrile
CID 19011914
6-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 19011810
1,3-dimethyl-6-[4-[3-[2-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19011897
6-[4-[3-(3-chlorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 10385868
6-[4-[4-(4-chlorophenoxy)butyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012121
1,3-dimethyl-6-[4-[3-[2-(2-oxopropoxy)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione;hydrochloride
CID 19012089
6-[4-[3-(4-aminoanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19011792
1,3-dimethyl-6-[4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19012156
1,3-dimethyl-6-[4-[3-(4-oxo-2-phenylchromen-6-yl)oxypropyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19898763
6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012090
6-[4-[3-(4-chloro-N-propylanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19011761
6-[4-[3-(5-chloro-2-hydroxyphenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012018

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione (CID 19012064) is 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione is Cn1c(N2CCN(CCCc3ccccc3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is DVEHKDCFSVEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-20-17(15-18(24)21(2)19(20)25)23-13-11-22(12-14-23)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 19012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).