6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide

C18H17N5O5 — CID 68897295

IUPAC6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Oc1c(OCCO)nc(-c2ncccn2)nc1C(N)=O
InChIInChI=1S/C18H17N5O5/c1-26-11-5-2-3-6-12(11)28-14-13(15(19)25)22-17(16-20-7-4-8-21-16)23-18(14)27-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25)
InChIKeyIJFRREYLTONLOA-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.20
Rot. Bonds8

About 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide

6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide (PubChem CID 68897295) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
PubChem CID68897295
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Oc1c(OCCO)nc(-c2ncccn2)nc1C(N)=O
InChIInChI=1S/C18H17N5O5/c1-26-11-5-2-3-6-12(11)28-14-13(15(19)25)22-17(16-20-7-4-8-21-16)23-18(14)27-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25)
InChIKeyIJFRREYLTONLOA-UHFFFAOYSA-N
XLogP1.20
TPSA142.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl acetate
CID 42641216
2-[6-(ethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethanol
CID 71499827
6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
CID 68896951
Bosentan potassium
CID 66744754
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrochloride
CID 44514424
4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
CID 59532565
4-tert-butyl-2,3,5,6-tetradeuterio-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
CID 25207767
2,5-dichloro-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]thiophene-3-sulfonamide
CID 54173771
2-[6-amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
(E)-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10530396
sodium;4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;ethane-1,2-diol;hydride
CID 162177960
4-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxybutanoic acid
CID 18327376

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide (CID 68897295) is 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide is COc1ccccc1Oc1c(OCCO)nc(-c2ncccn2)nc1C(N)=O.
What is the InChIKey of 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The InChIKey is IJFRREYLTONLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-26-11-5-2-3-6-12(11)28-14-13(15(19)25)22-17(16-20-7-4-8-21-16)23-18(14)27-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25).
What are the key properties of 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68897295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).