4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine

C20H19N5O2 — CID 166661322

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C20H19N5O2/c1-11-18(13(3)26-24-11)15-6-5-7-16(10-15)22-20-21-9-8-17(23-20)19-12(2)25-27-14(19)4/h5-10H,1-4H3,(H,21,22,23)
InChIKeyIOVGIHCWCCNBEO-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.76
Rot. Bonds4

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine (PubChem CID 166661322) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine
PubChem CID166661322
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C20H19N5O2/c1-11-18(13(3)26-24-11)15-6-5-7-16(10-15)22-20-21-9-8-17(23-20)19-12(2)25-27-14(19)4/h5-10H,1-4H3,(H,21,22,23)
InChIKeyIOVGIHCWCCNBEO-UHFFFAOYSA-N
XLogP4.76
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine (CID 166661322) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine is Cc1noc(C)c1-c1cccc(Nc2nccc(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine?
The InChIKey is IOVGIHCWCCNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-18(13(3)26-24-11)15-6-5-7-16(10-15)22-20-21-9-8-17(23-20)19-12(2)25-27-14(19)4/h5-10H,1-4H3,(H,21,22,23).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 166661322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).