tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate

C16H28N4O2 — CID 107246776

IUPACtert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
SMILESCc1nccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-12(11-20(6)15(21)22-16(3,4)5)9-17-10-14-7-8-18-13(2)19-14/h7-8,12,17H,9-11H2,1-6H3
InChIKeyJLXDDWSLCIFMQZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.38
Rot. Bonds6

About tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate

tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate (PubChem CID 107246776) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
PubChem CID107246776
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
SMILESCc1nccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-12(11-20(6)15(21)22-16(3,4)5)9-17-10-14-7-8-18-13(2)19-14/h7-8,12,17H,9-11H2,1-6H3
InChIKeyJLXDDWSLCIFMQZ-UHFFFAOYSA-N
XLogP2.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 103527227
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
tert-butyl N-[3-[(2-cyanophenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 103851687
tert-butyl N-[3-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 114077661
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
CID 107246587
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate (CID 107246776) is tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate is Cc1nccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate?
The InChIKey is JLXDDWSLCIFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(11-20(6)15(21)22-16(3,4)5)9-17-10-14-7-8-18-13(2)19-14/h7-8,12,17H,9-11H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate?
tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 107246776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).