4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

C19H20N4O3S — CID 17413776

IUPAC4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C19H20N4O3S/c1-26-18-8-9-20-19(21-18)22-10-12-23(13-11-22)27(24,25)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3
InChIKeyQIHRYXSNINTVBN-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.15
Rot. Bonds4

About 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine

4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 17413776) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID17413776
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C19H20N4O3S/c1-26-18-8-9-20-19(21-18)22-10-12-23(13-11-22)27(24,25)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3
InChIKeyQIHRYXSNINTVBN-UHFFFAOYSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine 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

4-methoxy-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 26436307
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497
N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58845086
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58844936
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine (CID 17413776) is 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is COc1ccnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is QIHRYXSNINTVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-18-8-9-20-19(21-18)22-10-12-23(13-11-22)27(24,25)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 384.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 17413776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).