5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206357

IUPAC5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)6-14-7-10-8-15-12(16-13(10)17)11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHIJXIVPDPIHNCJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds5

About 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one

5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 114206357) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID114206357
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)6-14-7-10-8-15-12(16-13(10)17)11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHIJXIVPDPIHNCJ-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206360
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 114206196
2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206362
N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 81249404
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
4-[5-(oxolan-2-yl)-1H-imidazol-2-yl]piperidine
CID 115032869
2-bromo-5-(oxolan-2-yl)-1H-imidazole
CID 115029847
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158500
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one (CID 114206357) is 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one is CC(C)CNCc1cnc(C2CCCO2)[nH]c1=O.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HIJXIVPDPIHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)6-14-7-10-8-15-12(16-13(10)17)11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).