N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide

C12H15FN4O — CID 171337700

IUPACN-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1(F)CCN(c2ccncn2)C1
InChIInChI=1S/C12H15FN4O/c13-12(11(18)16-9-1-2-9)4-6-17(7-12)10-3-5-14-8-15-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,18)
InChIKeyVHUWKZRZWPOXHK-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.67
Rot. Bonds3

About N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide

N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide (PubChem CID 171337700) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
PubChem CID171337700
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1(F)CCN(c2ccncn2)C1
InChIInChI=1S/C12H15FN4O/c13-12(11(18)16-9-1-2-9)4-6-17(7-12)10-3-5-14-8-15-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,18)
InChIKeyVHUWKZRZWPOXHK-UHFFFAOYSA-N
XLogP0.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide (CID 171337700) is N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide is O=C(NC1CC1)C1(F)CCN(c2ccncn2)C1.
What is the InChIKey of N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is VHUWKZRZWPOXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-12(11(18)16-9-1-2-9)4-6-17(7-12)10-3-5-14-8-15-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,18).
What are the key properties of N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171337700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).