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

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

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Related Compounds

2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
CID 59137325
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
1-chloro-4-propan-2-ylbenzene;2,2-dimethylpropyl N-propan-2-ylcarbamate;methane;yttrium
CID 160801795
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
methyl N-[1-[[4-[4-[5-amino-6-(fluoromethoxy)pyrazin-2-yl]-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 66591463
3-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoic acid
CID 81065475
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
methyl N-[1-[[4-[4-[5-amino-6-(trifluoromethoxy)pyrazin-2-yl]-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 66591212
methyl N-[(2S)-1-[[4-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 59137555
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043

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).