tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate

C12H18FN3O2 — CID 121444062

IUPACtert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1nccc(F)n1
InChIInChI=1S/C12H18FN3O2/c1-5-8-16(11(17)18-12(2,3)4)10-14-7-6-9(13)15-10/h6-7H,5,8H2,1-4H3
InChIKeyMSAYAGGQBNGGHN-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate

tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate (PubChem CID 121444062) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate
PubChem CID121444062
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Nametert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1nccc(F)n1
InChIInChI=1S/C12H18FN3O2/c1-5-8-16(11(17)18-12(2,3)4)10-14-7-6-9(13)15-10/h6-7H,5,8H2,1-4H3
InChIKeyMSAYAGGQBNGGHN-UHFFFAOYSA-N
XLogP2.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 49857006
tert-Butyl (2-chloropyrimidin-4-yl)(methyl)carbamate
CID 21959597
Tert-butyl 3-[(pyrimidin-2-yl)methyl]azetidine-1-carboxylate
CID 59418325
tert-butyl N-(3-((6-fluoropyrimidin-4-yl)amino)propyl)carbamate
CID 114518267
tert-Butyl pyrimidin-2-ylcarbamate
CID 10976384
1-N-Boc-4-Pyrimidin-2-yl-piperazine
CID 11975637
Pyri-midinyl dimethylcarbamate
CID 20163946
t-Butoxypyrimidine
CID 54339704
Tert-butyl N-(pyrimidin-4-YL)carbamate
CID 86810506
tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate
CID 135085840
tert-butyl (3S,5R)-3,5-dimethyl-4-(pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 100617259
tert-butyl N-[4-[(5-fluoropyrimidin-2-yl)amino]but-2-enyl]carbamate
CID 127265874

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate (CID 121444062) is tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)c1nccc(F)n1.
What is the InChIKey of tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate?
The InChIKey is MSAYAGGQBNGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-5-8-16(11(17)18-12(2,3)4)10-14-7-6-9(13)15-10/h6-7H,5,8H2,1-4H3.
What are the key properties of tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate?
tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate has a molecular weight of 255.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate is sourced from PubChem (CID 121444062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).