tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C23H30N4O5 — CID 171055996

IUPACtert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(NCc2ccccc2)c2c(n1)OCC2
InChIInChI=1S/C23H30N4O5/c1-22(2,3)31-20(28)27(21(29)32-23(4,5)6)19-25-17(16-12-13-30-18(16)26-19)24-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,24,25,26)
InChIKeyHFSFYSDKKQSCOQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 171055996) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID171055996
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Nametert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(NCc2ccccc2)c2c(n1)OCC2
InChIInChI=1S/C23H30N4O5/c1-22(2,3)31-20(28)27(21(29)32-23(4,5)6)19-25-17(16-12-13-30-18(16)26-19)24-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,24,25,26)
InChIKeyHFSFYSDKKQSCOQ-UHFFFAOYSA-N
XLogP4.70
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

1-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-2-benzothiophene-4-carboxamide
CID 122685222
3-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-1,2-benzothiazole-7-carboxamide
CID 122685330
1-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-6-fluoro-2-methoxybenzimidazole-4-carboxamide
CID 122685176
tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
CID 118239452
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide
CID 118239817
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380
1-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-(hydroxymethyl)indole-4-carboxamide
CID 122685211
2-(aminomethyl)-1-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]indole-4-carboxamide
CID 122685501
tert-butyl 4-(benzylamino)benzoate
CID 67130530
(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 92856144
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 171055996) is tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(NCc2ccccc2)c2c(n1)OCC2.
What is the InChIKey of tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is HFSFYSDKKQSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-22(2,3)31-20(28)27(21(29)32-23(4,5)6)19-25-17(16-12-13-30-18(16)26-19)24-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,24,25,26).
What are the key properties of tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 442.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 171055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).