tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate

C20H25N5O3 — CID 59447938

IUPACtert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)28-19(26)21-10-13-11-25(8-9-27-13)18-16-14-6-4-5-7-15(14)24-17(16)22-12-23-18/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)(H,22,23,24)
InChIKeyLPBXSMIYSYDDDT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate

tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate (PubChem CID 59447938) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate
PubChem CID59447938
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nametert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)28-19(26)21-10-13-11-25(8-9-27-13)18-16-14-6-4-5-7-15(14)24-17(16)22-12-23-18/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)(H,22,23,24)
InChIKeyLPBXSMIYSYDDDT-UHFFFAOYSA-N
XLogP2.84
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[4-[5-[(1-methoxypiperidin-3-yl)carbamoyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methyl]carbamate
CID 143698245
methyl 2-[4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
CID 166237857
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
1-(9H-pyrimido[4,5-b]indol-4-yl)piperidine-3,5-dicarboxylic acid
CID 167892957
tert-butyl N-[[4-[2-(benzimidazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]methyl]carbamate
CID 21189921
tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
CID 122494373
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
tert-butyl N-[[4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]carbamate
CID 138989832
tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
CID 98010789
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate (CID 59447938) is tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1.
What is the InChIKey of tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate?
The InChIKey is LPBXSMIYSYDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,3)28-19(26)21-10-13-11-25(8-9-27-13)18-16-14-6-4-5-7-15(14)24-17(16)22-12-23-18/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)(H,22,23,24).
What are the key properties of tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate?
tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 59447938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).