tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate

C16H24N4O4 — CID 163864079

IUPACtert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
SMILESCc1ncnc(N)c1CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H24N4O4/c1-10-11(14(17)19-9-18-10)7-12(21)13-8-20(5-6-23-13)15(22)24-16(2,3)4/h9,13H,5-8H2,1-4H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyPFCHHQRKPWRQBA-ZDUSSCGKSA-N
MW336.39 g/mol
LogP1.11
Rot. Bonds3

About tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate (PubChem CID 163864079) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
PubChem CID163864079
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
SMILESCc1ncnc(N)c1CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H24N4O4/c1-10-11(14(17)19-9-18-10)7-12(21)13-8-20(5-6-23-13)15(22)24-16(2,3)4/h9,13H,5-8H2,1-4H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyPFCHHQRKPWRQBA-ZDUSSCGKSA-N
XLogP1.11
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate 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

tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
CID 59232095
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
CID 162741113
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
CID 57449676
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812
tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
CID 123976217

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate (CID 163864079) is tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate is Cc1ncnc(N)c1CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate?
The InChIKey is PFCHHQRKPWRQBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-11(14(17)19-9-18-10)7-12(21)13-8-20(5-6-23-13)15(22)24-16(2,3)4/h9,13H,5-8H2,1-4H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate is sourced from PubChem (CID 163864079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).