2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C9H15N3O3 — CID 136741029

IUPAC2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCNc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-3-10-9-11-7(6-15-2)5-8(13)12-9/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyDTPGAWGZLPZRRR-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.03
Rot. Bonds6

About 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136741029) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136741029
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCNc1nc(COC)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-3-10-9-11-7(6-15-2)5-8(13)12-9/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyDTPGAWGZLPZRRR-UHFFFAOYSA-N
XLogP-0.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(Methoxymethyl)pyrimidin-4-ol
CID 135594057
2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-Amino-6-(methoxymethyl)pyrimidin-4-ol
CID 135473123
N-[4-Hydroxy-6-(methoxymethyl)pyrimidin-2-yl]acetamide
CID 135418967
6-(Methoxymethyl)-2-(pyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 135630705
2-[(2-Methoxyethyl)amino]-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388284
2-Amino-6-(ethoxymethyl)-3-methylpyrimidin-4-one
CID 59868854
2-amino-4-(ethoxymethyl)-1H-pyrimidin-6-one
CID 135460338
3-Methyl-2-propenoic acid-2-[[[(1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)amino]carbonyl]amino]ethyl ester
CID 136344124
2-amino-6-isopropoxymethyl-3H-pyrimidin-4-one
CID 136380149
Butyl 1,6-dihydro-2-[(2-methoxyethyl)amino]-6-oxo-4-pyrimidinecarboxylate
CID 136394993
Butyl 1,6-dihydro-2-(methylamino)-6-oxo-4-pyrimidinecarboxylate
CID 136394994

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136741029) is 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCCNc1nc(COC)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DTPGAWGZLPZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-4-3-10-9-11-7(6-15-2)5-8(13)12-9/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).