2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206298

IUPAC2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)14-7-10-8-15-12(16-13(10)17)6-11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFHKGSAGELOCOQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds5

About 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206298) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206298
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)14-7-10-8-15-12(16-13(10)17)6-11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFHKGSAGELOCOQG-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methanimidoyl-2-(oxolan-2-ylmethyl)-4-(pentan-3-ylamino)-1H-pyrimidin-6-one
CID 136444169
5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 82507785
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206240
2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206264
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206284
2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206286
2-(1-methoxybutyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206304
2-(2-ethoxyethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206305
5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 114206346

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206298) is 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(CC2CCCO2)[nH]c1=O.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is FHKGSAGELOCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)14-7-10-8-15-12(16-13(10)17)6-11-4-3-5-18-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).