2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C18H20N4O2 — CID 121330076

IUPAC2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCc4nc(C)oc4C3)c2n1
InChIInChI=1S/C18H20N4O2/c1-10-8-11(2)22-7-6-14(17(22)19-10)18(23)21-13-4-5-15-16(9-13)24-12(3)20-15/h6-8,13H,4-5,9H2,1-3H3,(H,21,23)
InChIKeyZXPXFDNUEHHLPF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.53
Rot. Bonds2

About 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330076) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330076
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCc4nc(C)oc4C3)c2n1
InChIInChI=1S/C18H20N4O2/c1-10-8-11(2)22-7-6-14(17(22)19-10)18(23)21-13-4-5-15-16(9-13)24-12(3)20-15/h6-8,13H,4-5,9H2,1-3H3,(H,21,23)
InChIKeyZXPXFDNUEHHLPF-UHFFFAOYSA-N
XLogP2.53
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330076) is 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCc4nc(C)oc4C3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is ZXPXFDNUEHHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-8-11(2)22-7-6-14(17(22)19-10)18(23)21-13-4-5-15-16(9-13)24-12(3)20-15/h6-8,13H,4-5,9H2,1-3H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).