4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one

C14H25N3O — CID 114217388

IUPAC4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one
SMILESCCCNC(C)CCCCn1ccc(C)nc1=O
InChIInChI=1S/C14H25N3O/c1-4-9-15-12(2)7-5-6-10-17-11-8-13(3)16-14(17)18/h8,11-12,15H,4-7,9-10H2,1-3H3
InChIKeyLTZWRXKGAJAEPH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds8

About 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one

4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one (PubChem CID 114217388) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one
PubChem CID114217388
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one
SMILESCCCNC(C)CCCCn1ccc(C)nc1=O
InChIInChI=1S/C14H25N3O/c1-4-9-15-12(2)7-5-6-10-17-11-8-13(3)16-14(17)18/h8,11-12,15H,4-7,9-10H2,1-3H3
InChIKeyLTZWRXKGAJAEPH-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one (CID 114217388) is 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one is CCCNC(C)CCCCn1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one?
The InChIKey is LTZWRXKGAJAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-15-12(2)7-5-6-10-17-11-8-13(3)16-14(17)18/h8,11-12,15H,4-7,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one?
4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(propylamino)hexyl]pyrimidin-2-one is sourced from PubChem (CID 114217388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).