N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H21N3O2 — CID 121318215

IUPACN-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccn3c(C)cc(C)nc23)c1
InChIInChI=1S/C19H21N3O2/c1-12-10-13(2)22-9-8-17(18(22)20-12)19(23)21-14(3)15-6-5-7-16(11-15)24-4/h5-11,14H,1-4H3,(H,21,23)
InChIKeyDGDJNKRLPHEHJJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318215) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318215
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccn3c(C)cc(C)nc23)c1
InChIInChI=1S/C19H21N3O2/c1-12-10-13(2)22-9-8-17(18(22)20-12)19(23)21-14(3)15-6-5-7-16(11-15)24-4/h5-11,14H,1-4H3,(H,21,23)
InChIKeyDGDJNKRLPHEHJJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318215) is N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is COc1cccc(C(C)NC(=O)c2ccn3c(C)cc(C)nc23)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is DGDJNKRLPHEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-10-13(2)22-9-8-17(18(22)20-12)19(23)21-14(3)15-6-5-7-16(11-15)24-4/h5-11,14H,1-4H3,(H,21,23).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).