5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C19H17N5OS — CID 95799418

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-22-19(21-10-14-5-3-4-8-20-14)23-18(15)17-7-6-13(2)26-17/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyVVGGVEVPNKMYIH-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.48
Rot. Bonds5

About 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 95799418) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID95799418
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-22-19(21-10-14-5-3-4-8-20-14)23-18(15)17-7-6-13(2)26-17/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyVVGGVEVPNKMYIH-UHFFFAOYSA-N
XLogP4.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 95799418) is 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is Cc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is VVGGVEVPNKMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-22-19(21-10-14-5-3-4-8-20-14)23-18(15)17-7-6-13(2)26-17/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 95799418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).