tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate

C27H31N5O5 — CID 69205539

IUPACtert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate
SMILESCOc1ccc(N2C(C(=O)N(CCNC(=O)OC(C)(C)C)c3ccccc3)=Nc3occc3C2N)cc1
InChIInChI=1S/C27H31N5O5/c1-27(2,3)37-26(34)29-15-16-31(18-8-6-5-7-9-18)25(33)23-30-24-21(14-17-36-24)22(28)32(23)19-10-12-20(35-4)13-11-19/h5-14,17,22H,15-16,28H2,1-4H3,(H,29,34)
InChIKeyVTLFSIPOLVNDDU-UHFFFAOYSA-N
MW505.58 g/mol
LogP4.35
Rot. Bonds7

About tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate

tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate (PubChem CID 69205539) has the molecular formula C27H31N5O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate
PubChem CID69205539
Molecular FormulaC27H31N5O5
Molecular Weight505.58 g/mol
Exact Mass505.23
IUPAC Nametert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate
SMILESCOc1ccc(N2C(C(=O)N(CCNC(=O)OC(C)(C)C)c3ccccc3)=Nc3occc3C2N)cc1
InChIInChI=1S/C27H31N5O5/c1-27(2,3)37-26(34)29-15-16-31(18-8-6-5-7-9-18)25(33)23-30-24-21(14-17-36-24)22(28)32(23)19-10-12-20(35-4)13-11-19/h5-14,17,22H,15-16,28H2,1-4H3,(H,29,34)
InChIKeyVTLFSIPOLVNDDU-UHFFFAOYSA-N
XLogP4.35
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide
CID 69207884
[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69209035
2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine
CID 69208736
methyl 3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzoate
CID 69210521
2-(4-methoxyphenyl)-3-naphthalen-1-yl-4H-furo[2,3-d]pyrimidin-4-amine
CID 69209426
3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine
CID 69205644
tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
CID 113062437
tert-butyl N-[2-(2,2,3,3,3-pentafluoropropoxycarbonylamino)ethyl]-N-phenylcarbamate
CID 54397769
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
CID 166492114

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate (CID 69205539) is tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate is COc1ccc(N2C(C(=O)N(CCNC(=O)OC(C)(C)C)c3ccccc3)=Nc3occc3C2N)cc1.
What is the InChIKey of tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate?
The InChIKey is VTLFSIPOLVNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5/c1-27(2,3)37-26(34)29-15-16-31(18-8-6-5-7-9-18)25(33)23-30-24-21(14-17-36-24)22(28)32(23)19-10-12-20(35-4)13-11-19/h5-14,17,22H,15-16,28H2,1-4H3,(H,29,34).
What are the key properties of tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate?
tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate has a molecular weight of 505.58 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate is sourced from PubChem (CID 69205539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).