2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O2 — CID 72904636

IUPAC2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccnc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)15-17-8-5-13(18-15)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3
InChIKeyYQGOUXAHNUZRQH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72904636) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72904636
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccnc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)15-17-8-5-13(18-15)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3
InChIKeyYQGOUXAHNUZRQH-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72904636) is 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is COc1ccnc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1.
What is the InChIKey of 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YQGOUXAHNUZRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)15-17-8-5-13(18-15)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3.
What are the key properties of 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrimidin-2-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72904636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).