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

C11H17N3O2 — CID 70815077

IUPACtert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCC(C)(C)OC(=O)C1Cc2nccn2CN1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)8-6-9-12-4-5-14(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3
InChIKeyKDSGLVRASNQGQN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds1

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

tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate (PubChem CID 70815077) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
PubChem CID70815077
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCC(C)(C)OC(=O)C1Cc2nccn2CN1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)8-6-9-12-4-5-14(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3
InChIKeyKDSGLVRASNQGQN-UHFFFAOYSA-N
XLogP0.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The IUPAC name of tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate (CID 70815077) is tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate.
What is the SMILES notation for tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The canonical SMILES for tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate is CC(C)(C)OC(=O)C1Cc2nccn2CN1.
What is the InChIKey of tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
The InChIKey is KDSGLVRASNQGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)8-6-9-12-4-5-14(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate?
tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 70815077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).