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

C20H17N5O — CID 20622527

IUPAC4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1noc(-c2ccccc2)c1-c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H17N5O/c1-14-18(19(26-25-14)15-7-3-2-4-8-15)17-10-12-22-20(24-17)23-13-16-9-5-6-11-21-16/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyXDMZRICYLQDFLC-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.11
Rot. Bonds5

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

4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 20622527) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID20622527
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1noc(-c2ccccc2)c1-c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H17N5O/c1-14-18(19(26-25-14)15-7-3-2-4-8-15)17-10-12-22-20(24-17)23-13-16-9-5-6-11-21-16/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyXDMZRICYLQDFLC-UHFFFAOYSA-N
XLogP4.11
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 122650693
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CID 53329532
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CID 86208116
CID 86208116
CID 2745721
CID 2745721
CID 11625524
CID 11625524
CID 11654334
CID 11654334
CID 139339317
CID 139339317
CID 53329533
CID 53329533
CID 53329883
CID 53329883
CID 60138177
CID 60138177
CID 90665015
CID 90665015
CID 90665126
CID 90665126

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 20622527) is 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is Cc1noc(-c2ccccc2)c1-c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is XDMZRICYLQDFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-18(19(26-25-14)15-7-3-2-4-8-15)17-10-12-22-20(24-17)23-13-16-9-5-6-11-21-16/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 20622527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).