[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride

C19H23ClN6O3S — CID 134586846

IUPAC[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride
SMILESCCc1cnc(NCc2cc(N)nc(Oc3ccc(CS(N)(=O)=O)cc3)c2)nc1.Cl
InChIInChI=1S/C19H22N6O3S.ClH/c1-2-13-9-22-19(23-10-13)24-11-15-7-17(20)25-18(8-15)28-16-5-3-14(4-6-16)12-29(21,26)27;/h3-10H,2,11-12H2,1H3,(H2,20,25)(H2,21,26,27)(H,22,23,24);1H
InChIKeyMWXZFZAPDOUGBZ-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.63
Rot. Bonds8

About [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride

[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride (PubChem CID 134586846) has the molecular formula C19H23ClN6O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride
PubChem CID134586846
Molecular FormulaC19H23ClN6O3S
Molecular Weight450.95 g/mol
Exact Mass450.12
IUPAC Name[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride
SMILESCCc1cnc(NCc2cc(N)nc(Oc3ccc(CS(N)(=O)=O)cc3)c2)nc1.Cl
InChIInChI=1S/C19H22N6O3S.ClH/c1-2-13-9-22-19(23-10-13)24-11-15-7-17(20)25-18(8-15)28-16-5-3-14(4-6-16)12-29(21,26)27;/h3-10H,2,11-12H2,1H3,(H2,20,25)(H2,21,26,27)(H,22,23,24);1H
InChIKeyMWXZFZAPDOUGBZ-UHFFFAOYSA-N
XLogP2.63
TPSA146.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine
CID 134586891
[4-[[4-[[(5-chloropyrimidin-2-yl)amino]methyl]-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 134586866
5-ethyl-2-[[2-[(4-methoxyphenyl)methylamino]-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]pyrimidine
CID 134586957
4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-6-[4-(3-methylsulfonylpropyl)phenoxy]pyrimidin-2-amine
CID 160542017
2-[4-[6-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-methylpyrimidin-4-yl]oxyphenyl]ethylcarbamic acid
CID 134586811
N-[2-[4-[6-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]ethyl]acetamide
CID 134586788
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 134598594
1-[4-[6-[[(5-chloropyrimidin-2-yl)amino]methyl]-2-methoxypyrimidin-4-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 134586844
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
CID 134586819

Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride (CID 134586846) is [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride is CCc1cnc(NCc2cc(N)nc(Oc3ccc(CS(N)(=O)=O)cc3)c2)nc1.Cl.
What is the InChIKey of [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is MWXZFZAPDOUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S.ClH/c1-2-13-9-22-19(23-10-13)24-11-15-7-17(20)25-18(8-15)28-16-5-3-14(4-6-16)12-29(21,26)27;/h3-10H,2,11-12H2,1H3,(H2,20,25)(H2,21,26,27)(H,22,23,24);1H.
What are the key properties of [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride?
[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 450.95 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 134586846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).