5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one

C10H16N2O3 — CID 103240608

IUPAC5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-7(2)4-5-15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKZPQAMPQXHPKSD-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.20
Rot. Bonds5

About 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one

5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one (PubChem CID 103240608) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
PubChem CID103240608
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-7(2)4-5-15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKZPQAMPQXHPKSD-UHFFFAOYSA-N
XLogP1.20
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 114676197
5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one
CID 103240600
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241618
4-[(1-aminocycloheptyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586499
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one (CID 103240608) is 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one is COc1c(OCCC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is KZPQAMPQXHPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)4-5-15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).