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

C20H21N3O2 — CID 121330262

IUPAC2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3(C)CCOc4ccccc43)c2n1
InChIInChI=1S/C20H21N3O2/c1-13-12-14(2)23-10-8-15(18(23)21-13)19(24)22-20(3)9-11-25-17-7-5-4-6-16(17)20/h4-8,10,12H,9,11H2,1-3H3,(H,22,24)
InChIKeyWLDGUODEFDCGNE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds2

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

2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330262) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330262
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3(C)CCOc4ccccc43)c2n1
InChIInChI=1S/C20H21N3O2/c1-13-12-14(2)23-10-8-15(18(23)21-13)19(24)22-20(3)9-11-25-17-7-5-4-6-16(17)20/h4-8,10,12H,9,11H2,1-3H3,(H,22,24)
InChIKeyWLDGUODEFDCGNE-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330262) is 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3(C)CCOc4ccccc43)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is WLDGUODEFDCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-12-14(2)23-10-8-15(18(23)21-13)19(24)22-20(3)9-11-25-17-7-5-4-6-16(17)20/h4-8,10,12H,9,11H2,1-3H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).