5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine

C18H27N7 — CID 169170321

IUPAC5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine
SMILESCN1CC2(CCN(c3nccc(/N=C4/CC(C5CC5)NN4)n3)CC2)C1
InChIInChI=1S/C18H27N7/c1-24-11-18(12-24)5-8-25(9-6-18)17-19-7-4-15(21-17)20-16-10-14(22-23-16)13-2-3-13/h4,7,13-14,22H,2-3,5-6,8-12H2,1H3,(H,19,20,21,23)
InChIKeyHHBIDKOYOUHCOG-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.32
Rot. Bonds3

About 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine

5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine (PubChem CID 169170321) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine
PubChem CID169170321
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine
SMILESCN1CC2(CCN(c3nccc(/N=C4/CC(C5CC5)NN4)n3)CC2)C1
InChIInChI=1S/C18H27N7/c1-24-11-18(12-24)5-8-25(9-6-18)17-19-7-4-15(21-17)20-16-10-14(22-23-16)13-2-3-13/h4,7,13-14,22H,2-3,5-6,8-12H2,1H3,(H,19,20,21,23)
InChIKeyHHBIDKOYOUHCOG-UHFFFAOYSA-N
XLogP1.32
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The IUPAC name of 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine (CID 169170321) is 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine is CN1CC2(CCN(c3nccc(/N=C4/CC(C5CC5)NN4)n3)CC2)C1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The InChIKey is HHBIDKOYOUHCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-24-11-18(12-24)5-8-25(9-6-18)17-19-7-4-15(21-17)20-16-10-14(22-23-16)13-2-3-13/h4,7,13-14,22H,2-3,5-6,8-12H2,1H3,(H,19,20,21,23).
What are the key properties of 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine has a molecular weight of 341.46 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine is sourced from PubChem (CID 169170321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).