tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate

C20H28N4O2S — CID 151169914

IUPACtert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate
SMILESCN(c1ncnc2sc(C3CC3)cc12)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)26-19(25)23-13-7-8-14(9-13)24(4)17-15-10-16(12-5-6-12)27-18(15)22-11-21-17/h10-14H,5-9H2,1-4H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyNCBBRTDMOSYYOJ-UONOGXRCSA-N
MW388.54 g/mol
LogP4.45
Rot. Bonds4

About tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate

tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate (PubChem CID 151169914) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate
PubChem CID151169914
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Nametert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate
SMILESCN(c1ncnc2sc(C3CC3)cc12)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)26-19(25)23-13-7-8-14(9-13)24(4)17-15-10-16(12-5-6-12)27-18(15)22-11-21-17/h10-14H,5-9H2,1-4H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyNCBBRTDMOSYYOJ-UONOGXRCSA-N
XLogP4.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3R)-3-[methyl-[6-(oxetan-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamic acid
CID 146636372
tert-butyl N-[(1S,3R)-3-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]cyclopentyl]carbamate
CID 157333172
tert-butyl N-[3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]cyclohexyl]carbamate
CID 147998157
cis-(1S,3R)-1-N-(cyclohexylmethyl)-3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine
CID 157022343
[(1R,2R)-2-(2-bromo-1,3-thiazol-5-yl)cyclopropyl]-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 90388591
tert-butyl N-[(1S,3R)-3-(7-chloro-2,6-naphthyridin-1-yl)cyclopentyl]carbamate
CID 178017165
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate (CID 151169914) is tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate is CN(c1ncnc2sc(C3CC3)cc12)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate?
The InChIKey is NCBBRTDMOSYYOJ-UONOGXRCSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-20(2,3)26-19(25)23-13-7-8-14(9-13)24(4)17-15-10-16(12-5-6-12)27-18(15)22-11-21-17/h10-14H,5-9H2,1-4H3,(H,23,25)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate has a molecular weight of 388.54 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-[(6-cyclopropylthieno[2,3-d]pyrimidin-4-yl)-methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 151169914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).