2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C13H23N3O2 — CID 114206367

IUPAC2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCCc1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-10(2)7-14-8-11-9-15-12(16-13(11)17)5-4-6-18-3/h9-10,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyPZYNZPWXCBJAKA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.09
Rot. Bonds8

About 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206367) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206367
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCCc1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-10(2)7-14-8-11-9-15-12(16-13(11)17)5-4-6-18-3/h9-10,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyPZYNZPWXCBJAKA-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.09
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-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(aminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 82503878
5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 82657911
2-cyclopropyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 83875150
5-(methylaminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 84110338
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84114363

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 114206367) is 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is COCCCc1ncc(CNCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is PZYNZPWXCBJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)7-14-8-11-9-15-12(16-13(11)17)5-4-6-18-3/h9-10,14H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).