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

C16H28N4O2 — CID 59137359

IUPAC2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)c1ccnc(NC[C@@H](C)NC(=O)OCC(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-11(2)13-7-8-17-14(20-13)18-9-12(3)19-15(21)22-10-16(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,19,21)(H,17,18,20)/t12-/m1/s1
InChIKeyZWGDYZSGQDZJOR-GFCCVEGCSA-N
MW308.43 g/mol
LogP3.17
Rot. Bonds6

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

2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (PubChem CID 59137359) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
PubChem CID59137359
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)c1ccnc(NC[C@@H](C)NC(=O)OCC(C)(C)C)n1
InChIInChI=1S/C16H28N4O2/c1-11(2)13-7-8-17-14(20-13)18-9-12(3)19-15(21)22-10-16(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,19,21)(H,17,18,20)/t12-/m1/s1
InChIKeyZWGDYZSGQDZJOR-GFCCVEGCSA-N
XLogP3.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (CID 59137359) is 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is CC(C)c1ccnc(NC[C@@H](C)NC(=O)OCC(C)(C)C)n1.
What is the InChIKey of 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is ZWGDYZSGQDZJOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)13-7-8-17-14(20-13)18-9-12(3)19-15(21)22-10-16(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,19,21)(H,17,18,20)/t12-/m1/s1.
What are the key properties of 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 59137359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).