tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate

C14H24N4O2 — CID 97214902

IUPACtert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
SMILESCc1ccnc(NCC[C@@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10-6-8-15-12(17-10)16-9-7-11(2)18-13(19)20-14(3,4)5/h6,8,11H,7,9H2,1-5H3,(H,18,19)(H,15,16,17)/t11-/m1/s1
InChIKeyDPFNUBCFHZMPLZ-LLVKDONJSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate

tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate (PubChem CID 97214902) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
PubChem CID97214902
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
SMILESCc1ccnc(NCC[C@@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10-6-8-15-12(17-10)16-9-7-11(2)18-13(19)20-14(3,4)5/h6,8,11H,7,9H2,1-5H3,(H,18,19)(H,15,16,17)/t11-/m1/s1
InChIKeyDPFNUBCFHZMPLZ-LLVKDONJSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
CID 137153000
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
CID 177040114
tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]butan-2-yl]carbamate
CID 103845011
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate (CID 97214902) is tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate is Cc1ccnc(NCC[C@@H](C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate?
The InChIKey is DPFNUBCFHZMPLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-6-8-15-12(17-10)16-9-7-11(2)18-13(19)20-14(3,4)5/h6,8,11H,7,9H2,1-5H3,(H,18,19)(H,15,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 97214902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).