tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate

C20H29N5O4 — CID 169089441

IUPACtert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1nccc2c(C3CCN(C(=O)OC(C)(C)C)C3)ncn12
InChIInChI=1S/C20H29N5O4/c1-19(2,3)28-17(26)23-16-21-9-7-14-15(22-12-25(14)16)13-8-10-24(11-13)18(27)29-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3,(H,21,23,26)
InChIKeyBNQLDRFQSIQRDA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate (PubChem CID 169089441) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate
PubChem CID169089441
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Nametert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1nccc2c(C3CCN(C(=O)OC(C)(C)C)C3)ncn12
InChIInChI=1S/C20H29N5O4/c1-19(2,3)28-17(26)23-16-21-9-7-14-15(22-12-25(14)16)13-8-10-24(11-13)18(27)29-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3,(H,21,23,26)
InChIKeyBNQLDRFQSIQRDA-UHFFFAOYSA-N
XLogP3.80
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl (3S)-3-[(4-chloropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629236
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[2-[[4-(2-methylpropoxy)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 175433589

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate (CID 169089441) is tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)Nc1nccc2c(C3CCN(C(=O)OC(C)(C)C)C3)ncn12.
What is the InChIKey of tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is BNQLDRFQSIQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-19(2,3)28-17(26)23-16-21-9-7-14-15(22-12-25(14)16)13-8-10-24(11-13)18(27)29-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3,(H,21,23,26).
What are the key properties of tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate?
tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 169089441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).