2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H18N4O2 — CID 121318350

IUPAC2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(C)c(-c4ncco4)c3)c2n1
InChIInChI=1S/C20H18N4O2/c1-12-4-5-15(11-17(12)20-21-7-9-26-20)23-19(25)16-6-8-24-14(3)10-13(2)22-18(16)24/h4-11H,1-3H3,(H,23,25)
InChIKeyJTQDTEBQYFHRDU-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.17
Rot. Bonds3

About 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318350) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318350
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(C)c(-c4ncco4)c3)c2n1
InChIInChI=1S/C20H18N4O2/c1-12-4-5-15(11-17(12)20-21-7-9-26-20)23-19(25)16-6-8-24-14(3)10-13(2)22-18(16)24/h4-11H,1-3H3,(H,23,25)
InChIKeyJTQDTEBQYFHRDU-UHFFFAOYSA-N
XLogP4.17
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318350) is 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3ccc(C)c(-c4ncco4)c3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is JTQDTEBQYFHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-4-5-15(11-17(12)20-21-7-9-26-20)23-19(25)16-6-8-24-14(3)10-13(2)22-18(16)24/h4-11H,1-3H3,(H,23,25).
What are the key properties of 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).