5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C14H18ClF3N4O — CID 55777351

IUPAC5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C14H18ClF3N4O/c1-2-5-22(9-14(16,17)18)12(23)11-10(15)8-19-13(20-11)21-6-3-4-7-21/h8H,2-7,9H2,1H3
InChIKeyDTFDMSOSXHAGJK-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.14
Rot. Bonds5

About 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 55777351) has the molecular formula C14H18ClF3N4O and a molecular weight of 350.77 g/mol. Its IUPAC name is 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID55777351
Molecular FormulaC14H18ClF3N4O
Molecular Weight350.77 g/mol
Exact Mass350.11
IUPAC Name5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C14H18ClF3N4O/c1-2-5-22(9-14(16,17)18)12(23)11-10(15)8-19-13(20-11)21-6-3-4-7-21/h8H,2-7,9H2,1H3
InChIKeyDTFDMSOSXHAGJK-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 55777351) is 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is DTFDMSOSXHAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N4O/c1-2-5-22(9-14(16,17)18)12(23)11-10(15)8-19-13(20-11)21-6-3-4-7-21/h8H,2-7,9H2,1H3.
What are the key properties of 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 350.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 55777351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).