tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate

C19H20ClN5O3 — CID 171090580

IUPACtert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C19H20ClN5O3/c1-19(2,3)28-17(26)16-23-14(20)6-15(24-16)27-10-13-9-25-8-12(11-4-5-11)7-21-18(25)22-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyCHGLDRFGTILPKB-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.58
Rot. Bonds5

About tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate

tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate (PubChem CID 171090580) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate
PubChem CID171090580
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Nametert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C19H20ClN5O3/c1-19(2,3)28-17(26)16-23-14(20)6-15(24-16)27-10-13-9-25-8-12(11-4-5-11)7-21-18(25)22-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyCHGLDRFGTILPKB-UHFFFAOYSA-N
XLogP3.58
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The IUPAC name of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate (CID 171090580) is tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate is CC(C)(C)OC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1.
What is the InChIKey of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The InChIKey is CHGLDRFGTILPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-19(2,3)28-17(26)16-23-14(20)6-15(24-16)27-10-13-9-25-8-12(11-4-5-11)7-21-18(25)22-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate?
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate has a molecular weight of 401.85 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidine-2-carboxylate is sourced from PubChem (CID 171090580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).