tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate

C15H22N4O3 — CID 90974587

IUPACtert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(c1ncccn1)C1CC1
InChIInChI=1S/C15H22N4O3/c1-10(18-14(21)22-15(2,3)4)12(20)19(11-6-7-11)13-16-8-5-9-17-13/h5,8-11H,6-7H2,1-4H3,(H,18,21)
InChIKeyVJUVDCMLEMNYFJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.89
Rot. Bonds4

About tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 90974587) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID90974587
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(c1ncccn1)C1CC1
InChIInChI=1S/C15H22N4O3/c1-10(18-14(21)22-15(2,3)4)12(20)19(11-6-7-11)13-16-8-5-9-17-13/h5,8-11H,6-7H2,1-4H3,(H,18,21)
InChIKeyVJUVDCMLEMNYFJ-UHFFFAOYSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
tert-butyl N-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 24688604
tert-butyl N-[1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010813
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
tert-butyl N-[(2R)-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)propan-2-yl]carbamate
CID 47451667
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010828
tert-butyl N-[1-[[2-(butylamino)-1-(2,3-dimethylphenyl)-2-oxoethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18011020
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010818
tert-butyl N-[1-[cyclobutyl-[1-(2-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18011978
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-1-(3,5-dimethylphenyl)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010983
tert-butyl N-[1-[cyclopropyl-[1-(3,5-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010977
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
CID 175326422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 90974587) is tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N(c1ncccn1)C1CC1.
What is the InChIKey of tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is VJUVDCMLEMNYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(18-14(21)22-15(2,3)4)12(20)19(11-6-7-11)13-16-8-5-9-17-13/h5,8-11H,6-7H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 90974587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).