2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

C16H26N4 — CID 72930014

IUPAC2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCCC3(CCN(C)C3)C2)ncn1
InChIInChI=1S/C16H26N4/c1-13(2)14-9-15(18-12-17-14)20-7-4-5-16(11-20)6-8-19(3)10-16/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyUKTCJWKGPWOXOJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 72930014) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID72930014
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCCC3(CCN(C)C3)C2)ncn1
InChIInChI=1S/C16H26N4/c1-13(2)14-9-15(18-12-17-14)20-7-4-5-16(11-20)6-8-19(3)10-16/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyUKTCJWKGPWOXOJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (CID 72930014) is 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is CC(C)c1cc(N2CCCC3(CCN(C)C3)C2)ncn1.
What is the InChIKey of 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is UKTCJWKGPWOXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)14-9-15(18-12-17-14)20-7-4-5-16(11-20)6-8-19(3)10-16/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 274.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 72930014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).