9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

C17H26N4 — CID 97370739

IUPAC9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(CC4CC4)CC3)CC2)nc1
InChIInChI=1S/C17H26N4/c1-8-18-16(19-9-1)21-12-6-17(7-13-21)4-10-20(11-5-17)14-15-2-3-15/h1,8-9,15H,2-7,10-14H2
InChIKeyQCGCTORJGXIQNL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds3

About 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 97370739) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID97370739
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(CC4CC4)CC3)CC2)nc1
InChIInChI=1S/C17H26N4/c1-8-18-16(19-9-1)21-12-6-17(7-13-21)4-10-20(11-5-17)14-15-2-3-15/h1,8-9,15H,2-7,10-14H2
InChIKeyQCGCTORJGXIQNL-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (CID 97370739) is 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is c1cnc(N2CCC3(CCN(CC4CC4)CC3)CC2)nc1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is QCGCTORJGXIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-8-18-16(19-9-1)21-12-6-17(7-13-21)4-10-20(11-5-17)14-15-2-3-15/h1,8-9,15H,2-7,10-14H2.
What are the key properties of 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 286.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).