7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C14H22N4 — CID 97392888

IUPAC7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(c1ncccn1)C2
InChIInChI=1S/C14H22N4/c1-12(2)8-17-7-4-14(9-17)10-18(11-14)13-15-5-3-6-16-13/h3,5-6,12H,4,7-11H2,1-2H3
InChIKeyWQVDQNMKDFTGJV-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.64
Rot. Bonds3

About 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97392888) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97392888
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(c1ncccn1)C2
InChIInChI=1S/C14H22N4/c1-12(2)8-17-7-4-14(9-17)10-18(11-14)13-15-5-3-6-16-13/h3,5-6,12H,4,7-11H2,1-2H3
InChIKeyWQVDQNMKDFTGJV-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 97392888) is 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is CC(C)CN1CCC2(C1)CN(c1ncccn1)C2.
What is the InChIKey of 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is WQVDQNMKDFTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(2)8-17-7-4-14(9-17)10-18(11-14)13-15-5-3-6-16-13/h3,5-6,12H,4,7-11H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 246.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97392888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).