1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane

C15H24N4 — CID 122154032

IUPAC1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccnc(N2CCN(C)C3(CCCCC3)C2)n1
InChIInChI=1S/C15H24N4/c1-13-6-9-16-14(17-13)19-11-10-18(2)15(12-19)7-4-3-5-8-15/h6,9H,3-5,7-8,10-12H2,1-2H3
InChIKeyKYNZWEXSQOUULU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane

1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 122154032) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID122154032
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccnc(N2CCN(C)C3(CCCCC3)C2)n1
InChIInChI=1S/C15H24N4/c1-13-6-9-16-14(17-13)19-11-10-18(2)15(12-19)7-4-3-5-8-15/h6,9H,3-5,7-8,10-12H2,1-2H3
InChIKeyKYNZWEXSQOUULU-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118742701
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CID 20613837
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane (CID 122154032) is 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane is Cc1ccnc(N2CCN(C)C3(CCCCC3)C2)n1.
What is the InChIKey of 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is KYNZWEXSQOUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-6-9-16-14(17-13)19-11-10-18(2)15(12-19)7-4-3-5-8-15/h6,9H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane?
1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 260.38 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 122154032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).