4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one

C9H15N3O3 — CID 136713916

IUPAC4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(C)n1)OC
InChIInChI=1S/C9H15N3O3/c1-6-11-7(4-8(13)12-6)10-5-9(14-2)15-3/h4,9H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQOMBBBVLVVSLAP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.11
Rot. Bonds5

About 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one

4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136713916) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136713916
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(C)n1)OC
InChIInChI=1S/C9H15N3O3/c1-6-11-7(4-8(13)12-6)10-5-9(14-2)15-3/h4,9H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQOMBBBVLVVSLAP-UHFFFAOYSA-N
XLogP0.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136713916) is 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one is COC(CNc1cc(=O)[nH]c(C)n1)OC.
What is the InChIKey of 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QOMBBBVLVVSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-11-7(4-8(13)12-6)10-5-9(14-2)15-3/h4,9H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136713916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).