tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate

C16H27N5O2 — CID 175669870

IUPACtert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate
SMILESCC(C)Nc1cc(C2CC(NC(=O)OC(C)(C)C)C2)nc(N)n1
InChIInChI=1S/C16H27N5O2/c1-9(2)18-13-8-12(20-14(17)21-13)10-6-11(7-10)19-15(22)23-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22)(H3,17,18,20,21)
InChIKeyZVFXMFYHDFAXTL-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate

tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate (PubChem CID 175669870) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate
PubChem CID175669870
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Nametert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate
SMILESCC(C)Nc1cc(C2CC(NC(=O)OC(C)(C)C)C2)nc(N)n1
InChIInChI=1S/C16H27N5O2/c1-9(2)18-13-8-12(20-14(17)21-13)10-6-11(7-10)19-15(22)23-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22)(H3,17,18,20,21)
InChIKeyZVFXMFYHDFAXTL-UHFFFAOYSA-N
XLogP2.65
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
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tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
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tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
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tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate (CID 175669870) is tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate is CC(C)Nc1cc(C2CC(NC(=O)OC(C)(C)C)C2)nc(N)n1.
What is the InChIKey of tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate?
The InChIKey is ZVFXMFYHDFAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-9(2)18-13-8-12(20-14(17)21-13)10-6-11(7-10)19-15(22)23-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22)(H3,17,18,20,21).
What are the key properties of tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate?
tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate has a molecular weight of 321.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate is sourced from PubChem (CID 175669870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).