4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136956768

IUPAC4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-5-9(7-16-3)14-10-6-11(15)13-8(2)12-10/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyMLEOWHIFSMJWGW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds6

About 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956768) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956768
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-5-9(7-16-3)14-10-6-11(15)13-8(2)12-10/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyMLEOWHIFSMJWGW-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956768) is 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is CCCC(COC)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MLEOWHIFSMJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-9(7-16-3)14-10-6-11(15)13-8(2)12-10/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).