[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

C14H19N5O3S — CID 134598594

IUPAC[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
SMILESCN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21)
InChIKeyBGTQOFMPBKZYGK-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.58
Rot. Bonds6

About [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (PubChem CID 134598594) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
PubChem CID134598594
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
SMILESCN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21)
InChIKeyBGTQOFMPBKZYGK-UHFFFAOYSA-N
XLogP0.58
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The IUPAC name of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (CID 134598594) is [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.
What is the SMILES notation for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The canonical SMILES for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is CN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1.
What is the InChIKey of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The InChIKey is BGTQOFMPBKZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21).
What are the key properties of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 134598594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).