tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate

C16H26N4O2 — CID 103278680

IUPACtert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nccc(C2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-11-10-18-14-17-9-8-13(20-14)12-6-4-5-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyKFXWYWOGROWDBG-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate (PubChem CID 103278680) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
PubChem CID103278680
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nccc(C2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-11-10-18-14-17-9-8-13(20-14)12-6-4-5-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyKFXWYWOGROWDBG-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
CID 56870578
tert-butyl N-[2-[[4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-yl]amino]ethyl]carbamate
CID 114083017
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
tert-butyl N-[2-(5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-ylamino)ethyl]carbamate
CID 103278697
tert-butyl N-[2-[(7-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278713
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-[[3,6-bis(cyclohexylamino)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 59146546
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356
tert-butyl N-[2-[(7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278718
4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
CID 95402847
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate (CID 103278680) is tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1nccc(C2CCCC2)n1.
What is the InChIKey of tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate?
The InChIKey is KFXWYWOGROWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19-11-10-18-14-17-9-8-13(20-14)12-6-4-5-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103278680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).