2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine

C20H25N7O3S — CID 134586891

IUPAC2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine
SMILESCCc1cnc(NCc2cc(N)nc(Oc3ccc(CCNS(N)(=O)=O)cc3)c2)nc1
InChIInChI=1S/C20H25N7O3S/c1-2-14-11-23-20(24-12-14)25-13-16-9-18(21)27-19(10-16)30-17-5-3-15(4-6-17)7-8-26-31(22,28)29/h3-6,9-12,26H,2,7-8,13H2,1H3,(H2,21,27)(H2,22,28,29)(H,23,24,25)
InChIKeyDYDSOFLRHMFGIQ-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.76
Rot. Bonds10

About 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine

2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine (PubChem CID 134586891) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine
PubChem CID134586891
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine
SMILESCCc1cnc(NCc2cc(N)nc(Oc3ccc(CCNS(N)(=O)=O)cc3)c2)nc1
InChIInChI=1S/C20H25N7O3S/c1-2-14-11-23-20(24-12-14)25-13-16-9-18(21)27-19(10-16)30-17-5-3-15(4-6-17)7-8-26-31(22,28)29/h3-6,9-12,26H,2,7-8,13H2,1H3,(H2,21,27)(H2,22,28,29)(H,23,24,25)
InChIKeyDYDSOFLRHMFGIQ-UHFFFAOYSA-N
XLogP1.76
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-2-[[2-[(4-methoxyphenyl)methylamino]-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]pyrimidine
CID 134586957
[4-[[6-amino-4-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide;hydrochloride
CID 134586846
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-[[4-[[(5-chloropyrimidin-2-yl)amino]methyl]-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 134586866
N-[2-[4-[6-cyano-2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
CID 134586759
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine?
The IUPAC name of 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine (CID 134586891) is 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine.
What is the SMILES notation for 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine?
The canonical SMILES for 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine is CCc1cnc(NCc2cc(N)nc(Oc3ccc(CCNS(N)(=O)=O)cc3)c2)nc1.
What is the InChIKey of 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine?
The InChIKey is DYDSOFLRHMFGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-2-14-11-23-20(24-12-14)25-13-16-9-18(21)27-19(10-16)30-17-5-3-15(4-6-17)7-8-26-31(22,28)29/h3-6,9-12,26H,2,7-8,13H2,1H3,(H2,21,27)(H2,22,28,29)(H,23,24,25).
What are the key properties of 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine?
2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine has a molecular weight of 443.53 g/mol, XLogP of 1.76, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-[2-(sulfamoylamino)ethyl]phenoxy]-4-pyridinyl]methylamino]-5-ethylpyrimidine is sourced from PubChem (CID 134586891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).