1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one

C13H23N3O — CID 114217383

IUPAC1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one
SMILESCCNC(CC)CCCn1ccc(C)nc1=O
InChIInChI=1S/C13H23N3O/c1-4-12(14-5-2)7-6-9-16-10-8-11(3)15-13(16)17/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyBFTUFQRUMHATGA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds7

About 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one

1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one (PubChem CID 114217383) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one
PubChem CID114217383
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one
SMILESCCNC(CC)CCCn1ccc(C)nc1=O
InChIInChI=1S/C13H23N3O/c1-4-12(14-5-2)7-6-9-16-10-8-11(3)15-13(16)17/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyBFTUFQRUMHATGA-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dipropyl-1H-pyrimidin-3-ium-2-one
CID 69715484
4-Methyl-1-pentylpyrimidin-2-one
CID 91215679
1-Propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
CID 121271032
4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide
CID 174130848
1-[2-(Heptan-2-ylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 55087976
1-[4-(Propylamino)pentyl]pyrimidin-2-one
CID 61942235
1-[5-(Methylamino)hexyl]pyrimidin-2-one
CID 61942237
1-[5-(Ethylamino)hexyl]pyrimidin-2-one
CID 61942238
1-[5-(Propylamino)hexyl]pyrimidin-2-one
CID 61942447
1-(5-Aminohexyl)pyrimidin-2-one
CID 61942448
4,6-Dimethyl-1-[4-(methylamino)pentyl]pyrimidin-2-one
CID 61944998
1-[4-(Ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one
CID 61944999

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one (CID 114217383) is 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one is CCNC(CC)CCCn1ccc(C)nc1=O.
What is the InChIKey of 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one?
The InChIKey is BFTUFQRUMHATGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(14-5-2)7-6-9-16-10-8-11(3)15-13(16)17/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one?
1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)hexyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 114217383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).