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

C20H22ClN5O2 — CID 165131145

IUPACtert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(Cl)cc(NCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C20H22ClN5O2/c1-20(2,3)28-19(27)18-24-15(21)8-16(25-18)22-9-14-11-26-10-13(12-4-5-12)6-7-17(26)23-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,24,25)
InChIKeySUMFNXRKDQJXIA-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.22
Rot. Bonds5

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

tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate (PubChem CID 165131145) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
PubChem CID165131145
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Nametert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(Cl)cc(NCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C20H22ClN5O2/c1-20(2,3)28-19(27)18-24-15(21)8-16(25-18)22-9-14-11-26-10-13(12-4-5-12)6-7-17(26)23-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,24,25)
InChIKeySUMFNXRKDQJXIA-UHFFFAOYSA-N
XLogP4.22
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate with MolForge

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Related Compounds

ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
CID 171473354
(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175511414
4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
CID 165130846
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1,2-dicarboxamide
CID 175616966
N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
CID 165131798
tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 141485083
tert-butyl N-[5-chloro-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyloxy]-2-nitrophenyl]sulfonylcarbamate
CID 175521496
tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 170694065
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate (CID 165131145) is tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate is CC(C)(C)OC(=O)c1nc(Cl)cc(NCc2cn3cc(C4CC4)ccc3n2)n1.
What is the InChIKey of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is SUMFNXRKDQJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-20(2,3)28-19(27)18-24-15(21)8-16(25-18)22-9-14-11-26-10-13(12-4-5-12)6-7-17(26)23-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,24,25).
What are the key properties of tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate?
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 399.88 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 165131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).