6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine

C14H17N3O3S — CID 80874772

IUPAC6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C14H17N3O3S/c1-3-8-15-13-9-14(17-10-16-13)20-11-4-6-12(7-5-11)21(2,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyFMQPUXHIRUPYMG-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.49
Rot. Bonds6

About 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine

6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80874772) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80874772
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C14H17N3O3S/c1-3-8-15-13-9-14(17-10-16-13)20-11-4-6-12(7-5-11)21(2,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyFMQPUXHIRUPYMG-UHFFFAOYSA-N
XLogP2.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
6-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine (CID 80874772) is 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(S(C)(=O)=O)cc2)ncn1.
What is the InChIKey of 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is FMQPUXHIRUPYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-8-15-13-9-14(17-10-16-13)20-11-4-6-12(7-5-11)21(2,18)19/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine?
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80874772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).