tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate

C15H24N4O2 — CID 99620412

IUPACtert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-12-7-4-6-11(10-12)18-13-16-8-5-9-17-13/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,19,20)(H,16,17,18)/t11-,12+/m1/s1
InChIKeyNAZNOOVVJYAOFG-NEPJUHHUSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate (PubChem CID 99620412) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
PubChem CID99620412
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-12-7-4-6-11(10-12)18-13-16-8-5-9-17-13/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,19,20)(H,16,17,18)/t11-,12+/m1/s1
InChIKeyNAZNOOVVJYAOFG-NEPJUHHUSA-N
XLogP2.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
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-[3-(4-acetamidoanilino)cyclohexyl]carbamate
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tert-butyl N-[(3S)-3-[(6-bromo-1,2,4-triazin-3-yl)amino]cyclopentyl]carbamate
CID 171746136
tert-butyl N-[3-[2-(hydroxymethyl)anilino]cyclohexyl]carbamate
CID 103720124
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate (CID 99620412) is tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ncccn2)C1.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate?
The InChIKey is NAZNOOVVJYAOFG-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-12-7-4-6-11(10-12)18-13-16-8-5-9-17-13/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,19,20)(H,16,17,18)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 99620412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).