4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid

C15H12ClN5O3 — CID 171089752

IUPAC4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C15H12ClN5O3/c16-11-3-12(20-13(19-11)14(22)23)24-7-10-6-21-5-9(8-1-2-8)4-17-15(21)18-10/h3-6,8H,1-2,7H2,(H,22,23)
InChIKeyPFYNFUHFQBZCFJ-UHFFFAOYSA-N
MW345.75 g/mol
LogP2.33
Rot. Bonds5

About 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid

4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid (PubChem CID 171089752) has the molecular formula C15H12ClN5O3 and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid
PubChem CID171089752
Molecular FormulaC15H12ClN5O3
Molecular Weight345.75 g/mol
Exact Mass345.06
IUPAC Name4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C15H12ClN5O3/c16-11-3-12(20-13(19-11)14(22)23)24-7-10-6-21-5-9(8-1-2-8)4-17-15(21)18-10/h3-6,8H,1-2,7H2,(H,22,23)
InChIKeyPFYNFUHFQBZCFJ-UHFFFAOYSA-N
XLogP2.33
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid (CID 171089752) is 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid is O=C(O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1.
What is the InChIKey of 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid?
The InChIKey is PFYNFUHFQBZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3/c16-11-3-12(20-13(19-11)14(22)23)24-7-10-6-21-5-9(8-1-2-8)4-17-15(21)18-10/h3-6,8H,1-2,7H2,(H,22,23).
What are the key properties of 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid?
4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid has a molecular weight of 345.75 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 171089752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).