tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate

C16H22N4O3S — CID 171675241

IUPACtert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1CNc1ncnc2ccsc12
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(21)20-5-6-22-9-11(20)8-17-14-13-12(4-7-24-13)18-10-19-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyHHKQPUNHSMRBEW-LLVKDONJSA-N
MW350.44 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate

tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate (PubChem CID 171675241) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate
PubChem CID171675241
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Nametert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1CNc1ncnc2ccsc12
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(21)20-5-6-22-9-11(20)8-17-14-13-12(4-7-24-13)18-10-19-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyHHKQPUNHSMRBEW-LLVKDONJSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249570
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249731
tert-butyl 3-[(thian-3-ylamino)methyl]morpholine-4-carboxylate
CID 107249529
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[[(5-bromothiophen-3-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249698
tert-butyl 3-[[4-amino-2-(1,2,4-triazol-4-yl)anilino]methyl]morpholine-4-carboxylate
CID 59313903
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate (CID 171675241) is tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1CNc1ncnc2ccsc12.
What is the InChIKey of tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate?
The InChIKey is HHKQPUNHSMRBEW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,3)23-15(21)20-5-6-22-9-11(20)8-17-14-13-12(4-7-24-13)18-10-19-14/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate?
tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 171675241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).