2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C16H24N4 — CID 118746685

IUPAC2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2
InChIKeyJPKKMKHDIIKISI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.18
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 118746685) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID118746685
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2
InChIKeyJPKKMKHDIIKISI-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 118746685) is 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is c1cnc(N2CCCC3(CCN(CC4CC4)C3)C2)nc1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is JPKKMKHDIIKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2.
What are the key properties of 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 272.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118746685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).