tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate

C19H22N4O4 — CID 152794499

IUPACtert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)nc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)27-17(24)8-12-4-7-15(20-10-12)26-16-9-14(21-11-22-16)23-18(25)13-5-6-13/h4,7,9-11,13H,5-6,8H2,1-3H3,(H,21,22,23,25)
InChIKeySLATWXBJLDPJGX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.90
Rot. Bonds6

About tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate

tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate (PubChem CID 152794499) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate
PubChem CID152794499
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nametert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)nc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)27-17(24)8-12-4-7-15(20-10-12)26-16-9-14(21-11-22-16)23-18(25)13-5-6-13/h4,7,9-11,13H,5-6,8H2,1-3H3,(H,21,22,23,25)
InChIKeySLATWXBJLDPJGX-UHFFFAOYSA-N
XLogP2.90
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate with MolForge

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Related Compounds

N-[6-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-2-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 153057964
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 90020675
N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 147478703
N-[6-[4-[3-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-oxopropyl]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 158957963
N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231297
2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 142783290
tert-butyl 2-[6-(cyanomethyl)-3-pyridinyl]acetate
CID 75406742
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
N-[6-[3-methyl-4-[3-(2,2,2-trifluoroethyl)anilino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 134409023
N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231292
tert-butyl 2-[6-(2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]acetate
CID 58386985
N-[6-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118233975

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate (CID 152794499) is tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate is CC(C)(C)OC(=O)Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)nc1.
What is the InChIKey of tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate?
The InChIKey is SLATWXBJLDPJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(2,3)27-17(24)8-12-4-7-15(20-10-12)26-16-9-14(21-11-22-16)23-18(25)13-5-6-13/h4,7,9-11,13H,5-6,8H2,1-3H3,(H,21,22,23,25).
What are the key properties of tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate?
tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate is sourced from PubChem (CID 152794499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).