5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide

C11H14ClF2N3O2 — CID 103770528

IUPAC5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCC(O)C(F)F)n1
InChIInChI=1S/C11H14ClF2N3O2/c1-5(2)10-15-3-6(12)8(17-10)11(19)16-4-7(18)9(13)14/h3,5,7,9,18H,4H2,1-2H3,(H,16,19)
InChIKeyJRLCPJPZLAONJJ-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.61
Rot. Bonds5

About 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103770528) has the molecular formula C11H14ClF2N3O2 and a molecular weight of 293.70 g/mol. Its IUPAC name is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103770528
Molecular FormulaC11H14ClF2N3O2
Molecular Weight293.70 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCC(O)C(F)F)n1
InChIInChI=1S/C11H14ClF2N3O2/c1-5(2)10-15-3-6(12)8(17-10)11(19)16-4-7(18)9(13)14/h3,5,7,9,18H,4H2,1-2H3,(H,16,19)
InChIKeyJRLCPJPZLAONJJ-UHFFFAOYSA-N
XLogP1.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
CID 53613703
5-chloro-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 47459237
5-chloro-N-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 62014419
5-chloro-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62014421
5-chloro-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016371
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
5-chloro-2-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016560
5-chloro-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016566
5-chloro-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
CID 62017524
5-chloro-N-(2-hydroxyethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62086558
5-chloro-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 63226795
5-chloro-N-(2-cyanoethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 71985149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 103770528) is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCC(O)C(F)F)n1.
What is the InChIKey of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JRLCPJPZLAONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O2/c1-5(2)10-15-3-6(12)8(17-10)11(19)16-4-7(18)9(13)14/h3,5,7,9,18H,4H2,1-2H3,(H,16,19).
What are the key properties of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 293.70 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103770528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).