2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H27N5O2 — CID 72864095

IUPAC2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1ccnc(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C18H27N5O2/c1-19-15-3-8-20-17(21-15)22-10-7-18(13-22)6-2-9-23(16(18)24)14-4-11-25-12-5-14/h3,8,14H,2,4-7,9-13H2,1H3,(H,19,20,21)
InChIKeyPUYYZSPJOCAXNV-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72864095) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72864095
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1ccnc(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C18H27N5O2/c1-19-15-3-8-20-17(21-15)22-10-7-18(13-22)6-2-9-23(16(18)24)14-4-11-25-12-5-14/h3,8,14H,2,4-7,9-13H2,1H3,(H,19,20,21)
InChIKeyPUYYZSPJOCAXNV-UHFFFAOYSA-N
XLogP1.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72864095) is 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CNc1ccnc(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1.
What is the InChIKey of 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PUYYZSPJOCAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-19-15-3-8-20-17(21-15)22-10-7-18(13-22)6-2-9-23(16(18)24)14-4-11-25-12-5-14/h3,8,14H,2,4-7,9-13H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 345.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)pyrimidin-2-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72864095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).