5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C13H19N3O2 — CID 114206321

IUPAC5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O2/c17-13-10(6-14-11-1-2-11)7-15-12(16-13)5-9-3-4-18-8-9/h7,9,11,14H,1-6,8H2,(H,15,16,17)
InChIKeyCTNKJHGXCRAQGW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.60
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 114206321) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID114206321
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O2/c17-13-10(6-14-11-1-2-11)7-15-12(16-13)5-9-3-4-18-8-9/h7,9,11,14H,1-6,8H2,(H,15,16,17)
InChIKeyCTNKJHGXCRAQGW-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
5-(aminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 104189931
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
5-[(cyclopropylamino)methyl]-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206315
5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 114206334
5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 114206346
4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886310

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 114206321) is 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCOC2)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is CTNKJHGXCRAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-10(6-14-11-1-2-11)7-15-12(16-13)5-9-3-4-18-8-9/h7,9,11,14H,1-6,8H2,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).