tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate

C20H25N3O3 — CID 167858499

IUPACtert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)26-18(24)15-10-7-11-16(15)22-19-21-13-12-17(23-19)25-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3,(H,21,22,23)
InChIKeyFLUMYPIFJBUUCS-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate

tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate (PubChem CID 167858499) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
PubChem CID167858499
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nametert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)26-18(24)15-10-7-11-16(15)22-19-21-13-12-17(23-19)25-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3,(H,21,22,23)
InChIKeyFLUMYPIFJBUUCS-UHFFFAOYSA-N
XLogP4.19
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
CID 167855530
N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
CID 167923389
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
N-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dithiin-5-yl)-4-phenoxypyrimidin-2-amine
CID 167881536
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
2-tert-butyl-3-[[4-(1-methylpyrazol-4-yl)oxypyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid
CID 175108738
2-methyl-N-(4-phenoxypyrimidin-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 166271427
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
CID 167914287
tert-butyl (3R)-3-[[2-chloro-3-(4-phenoxyanilino)-4-pyridinyl]amino]cyclohexane-1-carboxylate
CID 170621993
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate (CID 167858499) is tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1CCCC1Nc1nccc(Oc2ccccc2)n1.
What is the InChIKey of tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is FLUMYPIFJBUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)26-18(24)15-10-7-11-16(15)22-19-21-13-12-17(23-19)25-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate?
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 167858499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).