2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one

C12H21N3O — CID 137009106

IUPAC2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-8-15(3)11-9-12(16)14-10(5-2)13-11/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyZOJPNUZIYHHOSV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds6

About 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009106) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
PubChem CID137009106
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-8-15(3)11-9-12(16)14-10(5-2)13-11/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyZOJPNUZIYHHOSV-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (CID 137009106) is 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is CCCCCN(C)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZOJPNUZIYHHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-7-8-15(3)11-9-12(16)14-10(5-2)13-11/h9H,4-8H2,1-3H3,(H,13,14,16).
What are the key properties of 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).