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

C15H26N4O2 — CID 59137325

IUPAC2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)COC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)9-21-15(20)18-12(5)8-17-14-16-7-6-13(19-14)11(3)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)(H,16,17,19)/t12-/m1/s1
InChIKeyFIYQOONFZDNGAC-GFCCVEGCSA-N
MW294.40 g/mol
LogP2.78
Rot. Bonds7

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

2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (PubChem CID 59137325) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
PubChem CID59137325
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)COC(=O)N[C@H](C)CNc1nccc(C(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)9-21-15(20)18-12(5)8-17-14-16-7-6-13(19-14)11(3)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)(H,16,17,19)/t12-/m1/s1
InChIKeyFIYQOONFZDNGAC-GFCCVEGCSA-N
XLogP2.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate
CID 59137359
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
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
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
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
methyl N-[1-[[4-[5-(3-amino-5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 175209873
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate (CID 59137325) is 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is CC(C)COC(=O)N[C@H](C)CNc1nccc(C(C)C)n1.
What is the InChIKey of 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is FIYQOONFZDNGAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)9-21-15(20)18-12(5)8-17-14-16-7-6-13(19-14)11(3)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)(H,16,17,19)/t12-/m1/s1.
What are the key properties of 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate?
2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 59137325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).