2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C23H24N4OS — CID 146409082

IUPAC2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)Cc3cc(-c4cscn4)ccc3C)c2n1
InChIInChI=1S/C23H24N4OS/c1-14-5-6-18(21-12-29-13-24-21)11-19(14)10-16(3)26-23(28)20-7-8-27-17(4)9-15(2)25-22(20)27/h5-9,11-13,16H,10H2,1-4H3,(H,26,28)
InChIKeyHUPARCPFOQRHHV-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.74
Rot. Bonds5

About 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146409082) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID146409082
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)Cc3cc(-c4cscn4)ccc3C)c2n1
InChIInChI=1S/C23H24N4OS/c1-14-5-6-18(21-12-29-13-24-21)11-19(14)10-16(3)26-23(28)20-7-8-27-17(4)9-15(2)25-22(20)27/h5-9,11-13,16H,10H2,1-4H3,(H,26,28)
InChIKeyHUPARCPFOQRHHV-UHFFFAOYSA-N
XLogP4.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.74
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-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146409082) is 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC(C)Cc3cc(-c4cscn4)ccc3C)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is HUPARCPFOQRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-14-5-6-18(21-12-29-13-24-21)11-19(14)10-16(3)26-23(28)20-7-8-27-17(4)9-15(2)25-22(20)27/h5-9,11-13,16H,10H2,1-4H3,(H,26,28).
What are the key properties of 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[2-methyl-5-(1,3-thiazol-4-yl)phenyl]propan-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146409082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).