tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate

C23H31FN4O3 — CID 174065708

IUPACtert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCc2ccc(-n3ccc(N)nc3=O)cc2F)CC1
InChIInChI=1S/C23H31FN4O3/c1-23(2,3)31-22(30)26-17-9-5-15(6-10-17)4-7-16-8-11-18(14-19(16)24)28-13-12-20(25)27-21(28)29/h8,11-15,17H,4-7,9-10H2,1-3H3,(H,26,30)(H2,25,27,29)
InChIKeyGXCPSKYHWXUJTE-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.97
Rot. Bonds5

About tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate (PubChem CID 174065708) has the molecular formula C23H31FN4O3 and a molecular weight of 430.52 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate
PubChem CID174065708
Molecular FormulaC23H31FN4O3
Molecular Weight430.52 g/mol
Exact Mass430.24
IUPAC Nametert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCc2ccc(-n3ccc(N)nc3=O)cc2F)CC1
InChIInChI=1S/C23H31FN4O3/c1-23(2,3)31-22(30)26-17-9-5-15(6-10-17)4-7-16-8-11-18(14-19(16)24)28-13-12-20(25)27-21(28)29/h8,11-15,17H,4-7,9-10H2,1-3H3,(H,26,30)(H2,25,27,29)
InChIKeyGXCPSKYHWXUJTE-UHFFFAOYSA-N
XLogP3.97
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]methyl]piperidin-4-yl]carbamate
CID 154652494
tert-butyl N-[4-[(4-bromo-2-fluorophenyl)methoxycarbonylamino]cyclohexyl]carbamate
CID 154997780
tert-butyl N-[1-[4-[[1-[3-fluoro-4-(2-oxoethyl)phenyl]-2-oxopyrimidin-4-yl]carbamoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamate
CID 154650251
tert-butyl N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
CID 60512993
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
3-fluoro-4-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]methyl]benzoic acid
CID 134548411
tert-butyl N-[1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 134576469
tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate
CID 91339553
tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
CID 175625005
N-[1-[4-[2-(4-aminoazepan-1-yl)ethyl]-3-fluorophenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide;hydrochloride
CID 154651507
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
tert-butyl N-[3-[4-(4-chloro-3-fluorophenoxy)-3-oxobutyl]cyclopentyl]carbamate
CID 157442756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate (CID 174065708) is tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CCc2ccc(-n3ccc(N)nc3=O)cc2F)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate?
The InChIKey is GXCPSKYHWXUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O3/c1-23(2,3)31-22(30)26-17-9-5-15(6-10-17)4-7-16-8-11-18(14-19(16)24)28-13-12-20(25)27-21(28)29/h8,11-15,17H,4-7,9-10H2,1-3H3,(H,26,30)(H2,25,27,29).
What are the key properties of tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate has a molecular weight of 430.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 174065708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).