1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

C10H14N4 — CID 131638198

IUPAC1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC23CCNC3)nc1
InChIInChI=1S/C10H14N4/c1-4-12-9(13-5-1)14-7-3-10(14)2-6-11-8-10/h1,4-5,11H,2-3,6-8H2
InChIKeyMPZXXHNDSUOMKN-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.42
Rot. Bonds1

About 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (PubChem CID 131638198) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
PubChem CID131638198
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC23CCNC3)nc1
InChIInChI=1S/C10H14N4/c1-4-12-9(13-5-1)14-7-3-10(14)2-6-11-8-10/h1,4-5,11H,2-3,6-8H2
InChIKeyMPZXXHNDSUOMKN-UHFFFAOYSA-N
XLogP0.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (CID 131638198) is 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is c1cnc(N2CCC23CCNC3)nc1.
What is the InChIKey of 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The InChIKey is MPZXXHNDSUOMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-12-9(13-5-1)14-7-3-10(14)2-6-11-8-10/h1,4-5,11H,2-3,6-8H2.
What are the key properties of 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane has a molecular weight of 190.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 131638198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).