4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O3 — CID 103241440

IUPAC4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-13(2)5-4-6-16-10-8(15-3)9(14)11-7-12-10/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyJNLKZRSYXIINRG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.11
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one

4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241440) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241440
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCCN(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-13(2)5-4-6-16-10-8(15-3)9(14)11-7-12-10/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyJNLKZRSYXIINRG-UHFFFAOYSA-N
XLogP0.11
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
ethane;5-propoxy-1H-pyrimidin-6-one
CID 172330002
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240483
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
4,5-dimethoxy-1H-pyrimidin-6-one
CID 103240566

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one (CID 103241440) is 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCCN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JNLKZRSYXIINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13(2)5-4-6-16-10-8(15-3)9(14)11-7-12-10/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).