4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one

C11H20N4O3 — CID 136896837

IUPAC4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-15(2)5-7-18-6-4-12-10-9(17-3)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyRIWIIXBYLIKXKB-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.23
Rot. Bonds8

About 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136896837) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136896837
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-15(2)5-7-18-6-4-12-10-9(17-3)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyRIWIIXBYLIKXKB-UHFFFAOYSA-N
XLogP-0.23
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136728235
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932126
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
4-(2,2-difluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136976581
5-methoxy-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009210
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136896837) is 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCOCCN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is RIWIIXBYLIKXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-15(2)5-7-18-6-4-12-10-9(17-3)11(16)14-8-13-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136896837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).