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

C17H24N4O2 — CID 72940676

IUPAC7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccnc(N2CCC3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C17H24N4O2/c1-23-14-5-8-18-16(19-14)21-10-7-17(12-21)6-2-9-20(15(17)22)11-13-3-4-13/h5,8,13H,2-4,6-7,9-12H2,1H3
InChIKeyFXUATPHHAFBORP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.71
Rot. Bonds4

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

7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72940676) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72940676
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccnc(N2CCC3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C17H24N4O2/c1-23-14-5-8-18-16(19-14)21-10-7-17(12-21)6-2-9-20(15(17)22)11-13-3-4-13/h5,8,13H,2-4,6-7,9-12H2,1H3
InChIKeyFXUATPHHAFBORP-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72940676) is 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccnc(N2CCC3(CCCN(CC4CC4)C3=O)C2)n1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FXUATPHHAFBORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-23-14-5-8-18-16(19-14)21-10-7-17(12-21)6-2-9-20(15(17)22)11-13-3-4-13/h5,8,13H,2-4,6-7,9-12H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 316.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72940676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).