tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate

C18H27N5O2 — CID 176509576

IUPACtert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
SMILESCCCc1cc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2cn1
InChIInChI=1S/C18H27N5O2/c1-5-6-14-11-15-19-12-16(23(15)13-20-14)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyVJYNIVSBRJOELT-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate

tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate (PubChem CID 176509576) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
PubChem CID176509576
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Nametert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
SMILESCCCc1cc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2cn1
InChIInChI=1S/C18H27N5O2/c1-5-6-14-11-15-19-12-16(23(15)13-20-14)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyVJYNIVSBRJOELT-UHFFFAOYSA-N
XLogP2.74
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate (CID 176509576) is tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate is CCCc1cc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2cn1.
What is the InChIKey of tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The InChIKey is VJYNIVSBRJOELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-6-14-11-15-19-12-16(23(15)13-20-14)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate has a molecular weight of 345.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 176509576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).