4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one

C10H17N3O3 — CID 136805770

IUPAC4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O3/c1-7-12-9(5-10(15)13-7)11-4-3-8(14)6-16-2/h5,8,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyJDVXKDIDWCORQV-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.11
Rot. Bonds6

About 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136805770) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136805770
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O3/c1-7-12-9(5-10(15)13-7)11-4-3-8(14)6-16-2/h5,8,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyJDVXKDIDWCORQV-UHFFFAOYSA-N
XLogP-0.11
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136805770) is 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is COCC(O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JDVXKDIDWCORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-12-9(5-10(15)13-7)11-4-3-8(14)6-16-2/h5,8,14H,3-4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).