ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate

C19H20ClN5O3 — CID 171090180

IUPACethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C19H20ClN5O3/c1-2-27-18(26)6-5-16-23-15(20)7-17(24-16)28-11-14-10-25-9-13(12-3-4-12)8-21-19(25)22-14/h7-10,12H,2-6,11H2,1H3
InChIKeyBKAUSTWRYVLOMC-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.12
Rot. Bonds8

About ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate

ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate (PubChem CID 171090180) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate
PubChem CID171090180
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1
InChIInChI=1S/C19H20ClN5O3/c1-2-27-18(26)6-5-16-23-15(20)7-17(24-16)28-11-14-10-25-9-13(12-3-4-12)8-21-19(25)22-14/h7-10,12H,2-6,11H2,1H3
InChIKeyBKAUSTWRYVLOMC-UHFFFAOYSA-N
XLogP3.12
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate (CID 171090180) is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate is CCOC(=O)CCc1nc(Cl)cc(OCc2cn3cc(C4CC4)cnc3n2)n1.
What is the InChIKey of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
The InChIKey is BKAUSTWRYVLOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-2-27-18(26)6-5-16-23-15(20)7-17(24-16)28-11-14-10-25-9-13(12-3-4-12)8-21-19(25)22-14/h7-10,12H,2-6,11H2,1H3.
What are the key properties of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate has a molecular weight of 401.85 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate is sourced from PubChem (CID 171090180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).