8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

C15H23N5O — CID 50985334

IUPAC8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)Nc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1
InChIInChI=1S/C15H23N5O/c1-11(2)19-12-7-13(18-10-17-12)20-5-3-15(4-6-20)8-14(21)16-9-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyWDFYIPAHYQUTCM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds3

About 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50985334) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50985334
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)Nc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1
InChIInChI=1S/C15H23N5O/c1-11(2)19-12-7-13(18-10-17-12)20-5-3-15(4-6-20)8-14(21)16-9-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyWDFYIPAHYQUTCM-UHFFFAOYSA-N
XLogP1.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 50985334) is 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is CC(C)Nc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1.
What is the InChIKey of 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WDFYIPAHYQUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)19-12-7-13(18-10-17-12)20-5-3-15(4-6-20)8-14(21)16-9-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(propan-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50985334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).