tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate

C14H21N3O2 — CID 134280904

IUPACtert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCC(C)(C)OC(=O)C1NCn2ccnc2C1C1CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)11-10(9-4-5-9)12-15-6-7-17(12)8-16-11/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyZUSHYRYPMWBTCY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds2

About tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate

tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate (PubChem CID 134280904) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
PubChem CID134280904
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCC(C)(C)OC(=O)C1NCn2ccnc2C1C1CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)11-10(9-4-5-9)12-15-6-7-17(12)8-16-11/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyZUSHYRYPMWBTCY-UHFFFAOYSA-N
XLogP1.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The IUPAC name of tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate (CID 134280904) is tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate.
What is the SMILES notation for tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The canonical SMILES for tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate is CC(C)(C)OC(=O)C1NCn2ccnc2C1C1CC1.
What is the InChIKey of tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The InChIKey is ZUSHYRYPMWBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)11-10(9-4-5-9)12-15-6-7-17(12)8-16-11/h6-7,9-11,16H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 134280904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).