6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane

C12H18N4 — CID 135162221

IUPAC6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1ncc(CN2CC3(CN(C)C3)C2)cn1
InChIInChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3
InChIKeyUYRYTKYWQOMEBX-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.53
Rot. Bonds2

About 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane

6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 135162221) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID135162221
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1ncc(CN2CC3(CN(C)C3)C2)cn1
InChIInChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3
InChIKeyUYRYTKYWQOMEBX-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 135162221) is 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane is Cc1ncc(CN2CC3(CN(C)C3)C2)cn1.
What is the InChIKey of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is UYRYTKYWQOMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 218.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 135162221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).