6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine

C17H24N4O3S — CID 164889256

IUPAC6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(OCCCN(C)C)cc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20)
InChIKeyYBXAQIKRNSWPHA-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.92
Rot. Bonds8

About 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine

6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 164889256) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID164889256
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(OCCCN(C)C)cc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20)
InChIKeyYBXAQIKRNSWPHA-UHFFFAOYSA-N
XLogP1.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[3-(methylamino)propoxy]phenyl]-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 172574697
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
CID 98016972
2-[4-[5-(4-chloro-3-methoxyphenyl)-4-(2-methylsulfonylpyrimidin-4-yl)furan-2-yl]phenoxy]-N,N-dimethylethanamine
CID 69313927
3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 56720449
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 71734010
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 2928947
N,N-dimethyl-3-[4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenoxy]propan-1-amine
CID 21108916
N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
CID 11617608

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine (CID 164889256) is 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine is CNc1cc(-c2ccc(OCCCN(C)C)cc2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is YBXAQIKRNSWPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20).
What are the key properties of 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 364.47 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 164889256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).