tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate

C13H20FN3O2 — CID 123133695

IUPACtert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cncnc1C(C)(C)F
InChIInChI=1S/C13H20FN3O2/c1-12(2,3)19-11(18)16-7-9-6-15-8-17-10(9)13(4,5)14/h6,8H,7H2,1-5H3,(H,16,18)
InChIKeyYMXMIGDRPPXQOG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate

tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate (PubChem CID 123133695) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate
PubChem CID123133695
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Nametert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cncnc1C(C)(C)F
InChIInChI=1S/C13H20FN3O2/c1-12(2,3)19-11(18)16-7-9-6-15-8-17-10(9)13(4,5)14/h6,8H,7H2,1-5H3,(H,16,18)
InChIKeyYMXMIGDRPPXQOG-UHFFFAOYSA-N
XLogP2.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate (CID 123133695) is tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cncnc1C(C)(C)F.
What is the InChIKey of tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate?
The InChIKey is YMXMIGDRPPXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-12(2,3)19-11(18)16-7-9-6-15-8-17-10(9)13(4,5)14/h6,8H,7H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate?
tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate has a molecular weight of 269.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methyl]carbamate is sourced from PubChem (CID 123133695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).