4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H23N3O3 — CID 136764976

IUPAC4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-10(2)13-15-11(9-12(17)16-13)14-5-4-6-19-8-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyKNIWURCDNZXCHF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.36
Rot. Bonds9

About 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136764976) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136764976
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-10(2)13-15-11(9-12(17)16-13)14-5-4-6-19-8-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyKNIWURCDNZXCHF-UHFFFAOYSA-N
XLogP1.36
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.36
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

2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
4-(2-ethoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240591
2-propan-2-yl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241666
2-ethyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106451672
4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 106451674
2-propan-2-yl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 113604869
4-[3-(dimethylamino)propoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792735
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586367
4-(ethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294348

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136764976) is 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is COCCOCCCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KNIWURCDNZXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)13-15-11(9-12(17)16-13)14-5-4-6-19-8-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 269.34 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).