N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H23N3O2 — CID 121318281

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCOc1ccccc1C(C)NC(=O)c1ccn2c(C)cc(C)nc12
InChIInChI=1S/C20H23N3O2/c1-5-25-18-9-7-6-8-16(18)15(4)22-20(24)17-10-11-23-14(3)12-13(2)21-19(17)23/h6-12,15H,5H2,1-4H3,(H,22,24)
InChIKeyLEDDNBOBYTWWAJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318281) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318281
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCOc1ccccc1C(C)NC(=O)c1ccn2c(C)cc(C)nc12
InChIInChI=1S/C20H23N3O2/c1-5-25-18-9-7-6-8-16(18)15(4)22-20(24)17-10-11-23-14(3)12-13(2)21-19(17)23/h6-12,15H,5H2,1-4H3,(H,22,24)
InChIKeyLEDDNBOBYTWWAJ-UHFFFAOYSA-N
XLogP3.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318281) is N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is CCOc1ccccc1C(C)NC(=O)c1ccn2c(C)cc(C)nc12.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is LEDDNBOBYTWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-25-18-9-7-6-8-16(18)15(4)22-20(24)17-10-11-23-14(3)12-13(2)21-19(17)23/h6-12,15H,5H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).