(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C19H23N5O2 — CID 95897184

IUPAC(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O
InChIInChI=1S/C19H23N5O2/c1-23-13-19(26-18(23)25)7-8-24(14-19)12-16-10-21-17(22-11-16)20-9-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3,(H,20,21,22)/t19-/m0/s1
InChIKeyDXQMOJANMNHUIX-IBGZPJMESA-N
MW353.43 g/mol
LogP2.12
Rot. Bonds5

About (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95897184) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95897184
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O
InChIInChI=1S/C19H23N5O2/c1-23-13-19(26-18(23)25)7-8-24(14-19)12-16-10-21-17(22-11-16)20-9-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3,(H,20,21,22)/t19-/m0/s1
InChIKeyDXQMOJANMNHUIX-IBGZPJMESA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-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

3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56913773
(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99956366
7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501882
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56898795
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310
8-(dibenzofuran-2-ylmethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70721237
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729618

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95897184) is (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1C[C@]2(CCN(Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O.
What is the InChIKey of (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is DXQMOJANMNHUIX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-13-19(26-18(23)25)7-8-24(14-19)12-16-10-21-17(22-11-16)20-9-15-5-3-2-4-6-15/h2-6,10-11H,7-9,12-14H2,1H3,(H,20,21,22)/t19-/m0/s1.
What are the key properties of (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 353.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95897184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).