tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate

C20H29N5O3S — CID 155589677

IUPACtert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H29N5O3S/c1-5-15-23-16(25-18-22-12-14(29-18)13-7-6-8-13)11-17(24-15)27-10-9-21-19(26)28-20(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,26)(H,22,23,24,25)
InChIKeyQIHBUASAXLWHCK-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.41
Rot. Bonds8

About tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate

tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate (PubChem CID 155589677) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate
PubChem CID155589677
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Nametert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H29N5O3S/c1-5-15-23-16(25-18-22-12-14(29-18)13-7-6-8-13)11-17(24-15)27-10-9-21-19(26)28-20(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,26)(H,22,23,24,25)
InChIKeyQIHBUASAXLWHCK-UHFFFAOYSA-N
XLogP4.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate with MolForge

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Related Compounds

CID 155589670
CID 155589670
CID 155589702
CID 155589702
CID 155589710
CID 155589710
CID 155589729
CID 155589729
CID 155589738
CID 155589738
CID 155589769
CID 155589769
CID 155589801
CID 155589801
CID 155589834
CID 155589834
CID 156039548
CID 156039548
CID 165152611
CID 165152611
CID 165152623
CID 165152623
CID 175353914
CID 175353914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate (CID 155589677) is tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate is CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate?
The InChIKey is QIHBUASAXLWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-5-15-23-16(25-18-22-12-14(29-18)13-7-6-8-13)11-17(24-15)27-10-9-21-19(26)28-20(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,26)(H,22,23,24,25).
What are the key properties of tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate?
tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate has a molecular weight of 419.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate is sourced from PubChem (CID 155589677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).