4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile

C19H16N4O4 — CID 175908514

IUPAC4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1cnc(-c2ccnc(C#N)c2)nc1OCCO
InChIInChI=1S/C19H16N4O4/c1-25-15-4-2-3-5-16(15)27-17-12-22-18(23-19(17)26-9-8-24)13-6-7-21-14(10-13)11-20/h2-7,10,12,24H,8-9H2,1H3
InChIKeyWWTGWXPFQRAHKC-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.58
Rot. Bonds7

About 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile

4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile (PubChem CID 175908514) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
PubChem CID175908514
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1cnc(-c2ccnc(C#N)c2)nc1OCCO
InChIInChI=1S/C19H16N4O4/c1-25-15-4-2-3-5-16(15)27-17-12-22-18(23-19(17)26-9-8-24)13-6-7-21-14(10-13)11-20/h2-7,10,12,24H,8-9H2,1H3
InChIKeyWWTGWXPFQRAHKC-UHFFFAOYSA-N
XLogP2.58
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile (CID 175908514) is 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile is COc1ccccc1Oc1cnc(-c2ccnc(C#N)c2)nc1OCCO.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The InChIKey is WWTGWXPFQRAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-25-15-4-2-3-5-16(15)27-17-12-22-18(23-19(17)26-9-8-24)13-6-7-21-14(10-13)11-20/h2-7,10,12,24H,8-9H2,1H3.
What are the key properties of 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile has a molecular weight of 364.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 175908514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).