2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136957026

IUPAC2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
SMILESCCCOCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-3-6-16-7-4-5-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySAHQKNMQCXNEAZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds7

About 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one

2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136957026) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136957026
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
SMILESCCCOCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-3-6-16-7-4-5-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySAHQKNMQCXNEAZ-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978199
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one (CID 136957026) is 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one is CCCOCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is SAHQKNMQCXNEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-16-7-4-5-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one?
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).