3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one

C13H23N3O2 — CID 107506245

IUPAC3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-5-6-14-12(9-18-4)8-16-11(3)15-10(2)7-13(16)17/h7,12,14H,5-6,8-9H2,1-4H3
InChIKeyIHNFCYPVNIFWFQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds7

About 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one

3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 107506245) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one
PubChem CID107506245
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(COC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-5-6-14-12(9-18-4)8-16-11(3)15-10(2)7-13(16)17/h7,12,14H,5-6,8-9H2,1-4H3
InChIKeyIHNFCYPVNIFWFQ-UHFFFAOYSA-N
XLogP0.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
2-methoxy-N-[(9-methyl-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
CID 97467765
2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
CID 97467767
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
N'-[(6-hydroxypyrimidin-4-yl)methyl]-N-(2-methoxyethyl)-N-propylurea
CID 137028656
4-[(2-methoxyethylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095484
4-[(2-methoxyethylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283607
4-[(propan-2-ylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842541
2-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136842542
4-[(2-methoxyethylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842549
2-[2-(2,2-difluoroethoxy)ethyl]-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136842550

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one (CID 107506245) is 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one is CCCNC(COC)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is IHNFCYPVNIFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-6-14-12(9-18-4)8-16-11(3)15-10(2)7-13(16)17/h7,12,14H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one?
3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 253.35 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(propylamino)propyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 107506245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).