ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate

C15H13ClN4O2 — CID 163718815

IUPACethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(C)cn23)nc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-3-22-15(21)10-6-18-14(19-13(10)16)11-7-17-12-5-4-9(2)8-20(11)12/h4-8H,3H2,1-2H3
InChIKeyKPRNOPJILDDHHX-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.93
Rot. Bonds3

About ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate

ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate (PubChem CID 163718815) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
PubChem CID163718815
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Nameethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(C)cn23)nc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-3-22-15(21)10-6-18-14(19-13(10)16)11-7-17-12-5-4-9(2)8-20(11)12/h4-8H,3H2,1-2H3
InChIKeyKPRNOPJILDDHHX-UHFFFAOYSA-N
XLogP2.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 158528990
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
CID 142985875
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 2-(5-bromo-3-pyridinyl)-4-chloropyrimidine-5-carboxylate
CID 114213781
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
ethyl 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate
CID 15564026
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674755
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate (CID 163718815) is ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(C)cn23)nc1Cl.
What is the InChIKey of ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate?
The InChIKey is KPRNOPJILDDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-3-22-15(21)10-6-18-14(19-13(10)16)11-7-17-12-5-4-9(2)8-20(11)12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate?
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate has a molecular weight of 316.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 163718815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).