tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate

C14H19ClN4O2S — CID 58117892

IUPACtert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC1Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C14H19ClN4O2S/c1-14(2,3)21-13(20)18-9-6-8(9)16-11-10-7(4-5-22-10)17-12(15)19-11/h8-9H,4-6H2,1-3H3,(H,18,20)(H,16,17,19)/t8?,9-/m0/s1
InChIKeyRYDLTIFCOVBQRX-GKAPJAKFSA-N
MW342.85 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate

tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate (PubChem CID 58117892) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate
PubChem CID58117892
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Nametert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC1Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C14H19ClN4O2S/c1-14(2,3)21-13(20)18-9-6-8(9)16-11-10-7(4-5-22-10)17-12(15)19-11/h8-9H,4-6H2,1-3H3,(H,18,20)(H,16,17,19)/t8?,9-/m0/s1
InChIKeyRYDLTIFCOVBQRX-GKAPJAKFSA-N
XLogP2.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S)-2-[[2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]carbamate
CID 90221638
tert-butyl N-[(3S)-7,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-bicyclo[4.1.0]heptanyl]carbamate
CID 134438268
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(5R,6S)-2-chloro-6-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]carbamate
CID 177204659
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S)-2-[(5-carbamoyl-6-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate
CID 163456540
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
CID 154704474
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate (CID 58117892) is tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC1Nc1nc(Cl)nc2c1SCC2.
What is the InChIKey of tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate?
The InChIKey is RYDLTIFCOVBQRX-GKAPJAKFSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-14(2,3)21-13(20)18-9-6-8(9)16-11-10-7(4-5-22-10)17-12(15)19-11/h8-9H,4-6H2,1-3H3,(H,18,20)(H,16,17,19)/t8?,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate has a molecular weight of 342.85 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 58117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).