tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate

C17H26N4O2 — CID 146882600

IUPACtert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
SMILESC=Cc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H26N4O2/c1-5-12-10-18-15(19-11-12)20-13-6-8-14(9-7-13)21-16(22)23-17(2,3)4/h5,10-11,13-14H,1,6-9H2,2-4H3,(H,21,22)(H,18,19,20)
InChIKeySTUBTRIJADTOQJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate (PubChem CID 146882600) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
PubChem CID146882600
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nametert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
SMILESC=Cc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H26N4O2/c1-5-12-10-18-15(19-11-12)20-13-6-8-14(9-7-13)21-16(22)23-17(2,3)4/h5,10-11,13-14H,1,6-9H2,2-4H3,(H,21,22)(H,18,19,20)
InChIKeySTUBTRIJADTOQJ-UHFFFAOYSA-N
XLogP3.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
tert-butyl N-[(1S,3S)-3-[[5-(oxetan-2-yl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 178129219
tert-butyl N-[4-[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]cyclohexyl]carbamate
CID 140752162
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
tert-butyl N-[(3S)-3-[(6-bromo-1,2,4-triazin-3-yl)amino]cyclopentyl]carbamate
CID 171746136
tert-butyl N-[4-[(6-bromo-8-methylquinazolin-2-yl)amino]cyclohexyl]carbamate
CID 142489009
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
tert-butyl N-[(2R)-1-oxo-1-[[4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]propan-2-yl]carbamate
CID 99867130
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
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tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
CID 107648652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate (CID 146882600) is tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate is C=Cc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate?
The InChIKey is STUBTRIJADTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-12-10-18-15(19-11-12)20-13-6-8-14(9-7-13)21-16(22)23-17(2,3)4/h5,10-11,13-14H,1,6-9H2,2-4H3,(H,21,22)(H,18,19,20).
What are the key properties of tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 146882600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).