7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide

C13H13F2N3O2 — CID 178012626

IUPAC7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCON(C)C(=O)c1c(C2CC2)c(F)c2ncc(F)cn12
InChIInChI=1S/C13H13F2N3O2/c1-17(20-2)13(19)11-9(7-3-4-7)10(15)12-16-5-8(14)6-18(11)12/h5-7H,3-4H2,1-2H3
InChIKeyDJDSPGCENOWQEX-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.12
Rot. Bonds3

About 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide

7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178012626) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID178012626
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCON(C)C(=O)c1c(C2CC2)c(F)c2ncc(F)cn12
InChIInChI=1S/C13H13F2N3O2/c1-17(20-2)13(19)11-9(7-3-4-7)10(15)12-16-5-8(14)6-18(11)12/h5-7H,3-4H2,1-2H3
InChIKeyDJDSPGCENOWQEX-UHFFFAOYSA-N
XLogP2.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-Fluorophenyl)-N-methoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58565343
3-(3-fluorophenyl)-N-methoxy-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 90411146
3-(3,5-difluorophenyl)-N-methoxy-N,5-dimethylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 90411492
7-cyclopentyl-5-fluoro-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 153630400
2-amino-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 153630509
2-chloro-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 153630515
2-chloro-7-cyclopentyl-5-fluoro-N,N,1-trimethylpyrrolo[2,3-d]pyrimidin-1-ium-6-carboxamide
CID 153630602
6-fluoro-N-methoxy-N-methylimidazo[1,2-a]pyridine-5-carboxamide
CID 156252091
8-fluoro-N-methoxy-N,2-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 176220888
Potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide
CID 153470288
CID 153630514
CID 153630514
7-cyclopentyl-N-methoxy-N,2-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155426

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178012626) is 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide is CON(C)C(=O)c1c(C2CC2)c(F)c2ncc(F)cn12.
What is the InChIKey of 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is DJDSPGCENOWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-17(20-2)13(19)11-9(7-3-4-7)10(15)12-16-5-8(14)6-18(11)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide?
7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3,8-difluoro-N-methoxy-N-methylpyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178012626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).