4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile

C19H17N5O4 — CID 151945941

IUPAC4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1c(Nc2ccnc(C#N)c2)ncnc1OCCO
InChIInChI=1S/C19H17N5O4/c1-26-15-4-2-3-5-16(15)28-17-18(22-12-23-19(17)27-9-8-25)24-13-6-7-21-14(10-13)11-20/h2-7,10,12,25H,8-9H2,1H3,(H,21,22,23,24)
InChIKeyQKBAFBPHVNBDBU-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.66
Rot. Bonds8

About 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile

4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile (PubChem CID 151945941) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile
PubChem CID151945941
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1c(Nc2ccnc(C#N)c2)ncnc1OCCO
InChIInChI=1S/C19H17N5O4/c1-26-15-4-2-3-5-16(15)28-17-18(22-12-23-19(17)27-9-8-25)24-13-6-7-21-14(10-13)11-20/h2-7,10,12,25H,8-9H2,1H3,(H,21,22,23,24)
InChIKeyQKBAFBPHVNBDBU-UHFFFAOYSA-N
XLogP2.66
TPSA122.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile (CID 151945941) is 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile is COc1ccccc1Oc1c(Nc2ccnc(C#N)c2)ncnc1OCCO.
What is the InChIKey of 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The InChIKey is QKBAFBPHVNBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-26-15-4-2-3-5-16(15)28-17-18(22-12-23-19(17)27-9-8-25)24-13-6-7-21-14(10-13)11-20/h2-7,10,12,25H,8-9H2,1H3,(H,21,22,23,24).
What are the key properties of 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile has a molecular weight of 379.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 151945941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).