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

C18H25N5O2 — CID 176509577

IUPACtert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc3cc(C4CC4)ncn23)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-8-6-21(7-9-22)16-11-19-15-10-14(13-4-5-13)20-12-23(15)16/h10-13H,4-9H2,1-3H3
InChIKeyHNRPPEYYHWEOJB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.66
Rot. Bonds2

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

tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate (PubChem CID 176509577) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
PubChem CID176509577
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nametert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc3cc(C4CC4)ncn23)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-8-6-21(7-9-22)16-11-19-15-10-14(13-4-5-13)20-12-23(15)16/h10-13H,4-9H2,1-3H3
InChIKeyHNRPPEYYHWEOJB-UHFFFAOYSA-N
XLogP2.66
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.66
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-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate (CID 176509577) is tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc3cc(C4CC4)ncn23)CC1.
What is the InChIKey of tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
The InChIKey is HNRPPEYYHWEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-8-6-21(7-9-22)16-11-19-15-10-14(13-4-5-13)20-12-23(15)16/h10-13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 176509577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).