propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate

C14H24N4O2 — CID 59137345

IUPACpropan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)12-6-7-15-13(18-12)16-8-11(5)17-14(19)20-10(3)4/h6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18)/t11-/m1/s1
InChIKeyFFVZLBUBDIIPFE-LLVKDONJSA-N
MW280.37 g/mol
LogP2.54
Rot. Bonds6

About propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate

propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (PubChem CID 59137345) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
PubChem CID59137345
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namepropan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)12-6-7-15-13(18-12)16-8-11(5)17-14(19)20-10(3)4/h6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18)/t11-/m1/s1
InChIKeyFFVZLBUBDIIPFE-LLVKDONJSA-N
XLogP2.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (CID 59137345) is propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is CC(C)OC(=O)N[C@H](C)CNc1nccc(C(C)C)n1.
What is the InChIKey of propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is FFVZLBUBDIIPFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)12-6-7-15-13(18-12)16-8-11(5)17-14(19)20-10(3)4/h6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18)/t11-/m1/s1.
What are the key properties of propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 59137345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).