tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate

C17H28N4O4 — CID 126674823

IUPACtert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccnc(NCCO)n2)CC1
InChIInChI=1S/C17H28N4O4/c1-17(2,3)25-16(23)20-12-4-6-13(7-5-12)24-14-8-9-18-15(21-14)19-10-11-22/h8-9,12-13,22H,4-7,10-11H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyTUSOBKWSNHJVJC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate

tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate (PubChem CID 126674823) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate
PubChem CID126674823
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccnc(NCCO)n2)CC1
InChIInChI=1S/C17H28N4O4/c1-17(2,3)25-16(23)20-12-4-6-13(7-5-12)24-14-8-9-18-15(21-14)19-10-11-22/h8-9,12-13,22H,4-7,10-11H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyTUSOBKWSNHJVJC-UHFFFAOYSA-N
XLogP2.10
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 126674586
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
tert-butyl 3-[(4-cyclopentyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 151604611
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[4-[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]cyclohexyl]carbamate
CID 140752162
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600
tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 42632601
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 67087344
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate (CID 126674823) is tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2ccnc(NCCO)n2)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate?
The InChIKey is TUSOBKWSNHJVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-17(2,3)25-16(23)20-12-4-6-13(7-5-12)24-14-8-9-18-15(21-14)19-10-11-22/h8-9,12-13,22H,4-7,10-11H2,1-3H3,(H,20,23)(H,18,19,21).
What are the key properties of tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate?
tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate has a molecular weight of 352.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate is sourced from PubChem (CID 126674823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).