4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine

C19H23N7O2 — CID 118216789

IUPAC4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccn3c(C4CNCCO4)nnc3c2)nc(NC2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c1-5-21-19(22-14-3-8-27-9-4-14)23-15(1)13-2-7-26-17(11-13)24-25-18(26)16-12-20-6-10-28-16/h1-2,5,7,11,14,16,20H,3-4,6,8-10,12H2,(H,21,22,23)
InChIKeyWCLNPLPERFFXLR-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.44
Rot. Bonds4

About 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine

4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 118216789) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID118216789
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccn3c(C4CNCCO4)nnc3c2)nc(NC2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c1-5-21-19(22-14-3-8-27-9-4-14)23-15(1)13-2-7-26-17(11-13)24-25-18(26)16-12-20-6-10-28-16/h1-2,5,7,11,14,16,20H,3-4,6,8-10,12H2,(H,21,22,23)
InChIKeyWCLNPLPERFFXLR-UHFFFAOYSA-N
XLogP1.44
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine (CID 118216789) is 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine is c1cc(-c2ccn3c(C4CNCCO4)nnc3c2)nc(NC2CCOCC2)n1.
What is the InChIKey of 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is WCLNPLPERFFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-5-21-19(22-14-3-8-27-9-4-14)23-15(1)13-2-7-26-17(11-13)24-25-18(26)16-12-20-6-10-28-16/h1-2,5,7,11,14,16,20H,3-4,6,8-10,12H2,(H,21,22,23).
What are the key properties of 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 118216789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).