tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate

C14H24N4O2 — CID 107247937

IUPACtert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
SMILESCc1nccc(CNCC(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(17-13(19)20-14(3,4)5)8-15-9-12-6-7-16-11(2)18-12/h6-7,10,15H,8-9H2,1-5H3,(H,17,19)
InChIKeyVPMWXWDOCFLKAH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate

tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate (PubChem CID 107247937) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
PubChem CID107247937
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
SMILESCc1nccc(CNCC(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(17-13(19)20-14(3,4)5)8-15-9-12-6-7-16-11(2)18-12/h6-7,10,15H,8-9H2,1-5H3,(H,17,19)
InChIKeyVPMWXWDOCFLKAH-UHFFFAOYSA-N
XLogP1.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
CID 107246776
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
CID 107247781
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate (CID 107247937) is tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate is Cc1nccc(CNCC(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is VPMWXWDOCFLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(17-13(19)20-14(3,4)5)8-15-9-12-6-7-16-11(2)18-12/h6-7,10,15H,8-9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).