2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate

C26H25N5O8S — CID 54441379

IUPAC2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)OCCO)c2)nc1OC
InChIInChI=1S/C26H25N5O8S/c1-16-8-9-21(28-15-16)40(34,35)31-24-22(39-20-7-5-4-6-19(20)36-2)25(37-3)30-23(29-24)17-10-11-27-18(14-17)26(33)38-13-12-32/h4-11,14-15,32H,12-13H2,1-3H3,(H,29,30,31)
InChIKeyWOIKVAGVNLNWHQ-UHFFFAOYSA-N
MW567.58 g/mol
LogP3.00
Rot. Bonds11

About 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate

2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate (PubChem CID 54441379) has the molecular formula C26H25N5O8S and a molecular weight of 567.58 g/mol. Its IUPAC name is 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
PubChem CID54441379
Molecular FormulaC26H25N5O8S
Molecular Weight567.58 g/mol
Exact Mass567.14
IUPAC Name2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)OCCO)c2)nc1OC
InChIInChI=1S/C26H25N5O8S/c1-16-8-9-21(28-15-16)40(34,35)31-24-22(39-20-7-5-4-6-19(20)36-2)25(37-3)30-23(29-24)17-10-11-27-18(14-17)26(33)38-13-12-32/h4-11,14-15,32H,12-13H2,1-3H3,(H,29,30,31)
InChIKeyWOIKVAGVNLNWHQ-UHFFFAOYSA-N
XLogP3.00
TPSA171.95 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

N'-hydroxy-4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboximidamide
CID 135550517
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
CID 54316721
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylic acid
CID 21200276
4-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxybut-2-ynyl carbamate
CID 142655963
N-[6-methoxy-5-(2-methylphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 71158041
5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
CID 11569523
N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 54138361
2-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 4-[(dihydroxyamino)oxymethyl]benzoate
CID 70639397
2-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 4-(nitrooxymethyl)benzoate
CID 25093771
N-[2-[2-(hydroxymethyl)-4-pyridinyl]-5-(2-methoxyphenoxy)-6-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 142092922
N-[6-methoxy-2-pyridin-4-yl-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185727

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate (CID 54441379) is 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)OCCO)c2)nc1OC.
What is the InChIKey of 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate?
The InChIKey is WOIKVAGVNLNWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O8S/c1-16-8-9-21(28-15-16)40(34,35)31-24-22(39-20-7-5-4-6-19(20)36-2)25(37-3)30-23(29-24)17-10-11-27-18(14-17)26(33)38-13-12-32/h4-11,14-15,32H,12-13H2,1-3H3,(H,29,30,31).
What are the key properties of 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate?
2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate has a molecular weight of 567.58 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 54441379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).