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

C17H26N4 — CID 97484596

IUPAC2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCCN(CC4CC4)C3)CC2)nc1
InChIInChI=1S/C17H26N4/c1-5-17(14-20(10-1)13-15-3-4-15)6-11-21(12-7-17)16-18-8-2-9-19-16/h2,8-9,15H,1,3-7,10-14H2
InChIKeyHWHCPLZIOUMILC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds3

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

2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 97484596) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID97484596
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCCN(CC4CC4)C3)CC2)nc1
InChIInChI=1S/C17H26N4/c1-5-17(14-20(10-1)13-15-3-4-15)6-11-21(12-7-17)16-18-8-2-9-19-16/h2,8-9,15H,1,3-7,10-14H2
InChIKeyHWHCPLZIOUMILC-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 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 97484596) is 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is c1cnc(N2CCC3(CCCN(CC4CC4)C3)CC2)nc1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is HWHCPLZIOUMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-17(14-20(10-1)13-15-3-4-15)6-11-21(12-7-17)16-18-8-2-9-19-16/h2,8-9,15H,1,3-7,10-14H2.
What are the key properties of 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-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 2-(cyclopropylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97484596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).