2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one

C14H23N3O2 — CID 136852166

IUPAC2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C14H23N3O2/c1-2-6-15-10-11-8-14(18)17-13(16-11)9-12-5-3-4-7-19-12/h8,12,15H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyALLBRZUTZRAONQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds6

About 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one

2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 136852166) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID136852166
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C14H23N3O2/c1-2-6-15-10-11-8-14(18)17-13(16-11)9-12-5-3-4-7-19-12/h8,12,15H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyALLBRZUTZRAONQ-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
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

2,6-Dimethyl-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 63793320
2-[[2-(Oxan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105997903
4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978387
2-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095233
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095392
4-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095445
4-[(cyclopropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095465
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095477
4-[(tert-butylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095561
2-(oxolan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095714
4-(methylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274256

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one (CID 136852166) is 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ALLBRZUTZRAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-6-15-10-11-8-14(18)17-13(16-11)9-12-5-3-4-7-19-12/h8,12,15H,2-7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).