7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

C17H24N4O2 — CID 131639386

IUPAC7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(CC3CCOCC3)C2)CN1c1cncnc1
InChIInChI=1S/C17H24N4O2/c22-16-7-17(12-21(16)15-8-18-13-19-9-15)3-4-20(11-17)10-14-1-5-23-6-2-14/h8-9,13-14H,1-7,10-12H2
InChIKeyXBPYYMGTAHKTPM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.33
Rot. Bonds3

About 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131639386) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131639386
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(CC3CCOCC3)C2)CN1c1cncnc1
InChIInChI=1S/C17H24N4O2/c22-16-7-17(12-21(16)15-8-18-13-19-9-15)3-4-20(11-17)10-14-1-5-23-6-2-14/h8-9,13-14H,1-7,10-12H2
InChIKeyXBPYYMGTAHKTPM-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374092
(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374075
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374104
2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 159717779
7-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745443
7-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745451
8-(oxan-4-ylmethyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854448
7-(oxan-4-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131142357
7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131679795
(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374541
2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70757546
8-(2-cyclopropylacetyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077563

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 131639386) is 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(CC3CCOCC3)C2)CN1c1cncnc1.
What is the InChIKey of 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is XBPYYMGTAHKTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16-7-17(12-21(16)15-8-18-13-19-9-15)3-4-20(11-17)10-14-1-5-23-6-2-14/h8-9,13-14H,1-7,10-12H2.
What are the key properties of 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 316.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131639386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).