1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide

C14H19FN4O — CID 126856930

IUPAC1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C14H19FN4O/c1-18(2)13(20)14(15)6-7-19(8-14)12-10-4-3-5-11(10)16-9-17-12/h9H,3-8H2,1-2H3
InChIKeyARIAZUFLNRZSAQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.97
Rot. Bonds2

About 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 126856930) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID126856930
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C14H19FN4O/c1-18(2)13(20)14(15)6-7-19(8-14)12-10-4-3-5-11(10)16-9-17-12/h9H,3-8H2,1-2H3
InChIKeyARIAZUFLNRZSAQ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide (CID 126856930) is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1(F)CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ARIAZUFLNRZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-18(2)13(20)14(15)6-7-19(8-14)12-10-4-3-5-11(10)16-9-17-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide?
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).