4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one

C13H23N3O3 — CID 103241877

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C(C)C)C(C)C)nc[nH]c1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)16(10(3)4)6-7-19-13-11(18-5)12(17)14-8-15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyZBUXFYISNSFLKJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.28
Rot. Bonds7

About 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one

4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241877) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241877
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C(C)C)C(C)C)nc[nH]c1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)16(10(3)4)6-7-19-13-11(18-5)12(17)14-8-15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyZBUXFYISNSFLKJ-UHFFFAOYSA-N
XLogP1.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one (CID 103241877) is 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCN(C(C)C)C(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZBUXFYISNSFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)16(10(3)4)6-7-19-13-11(18-5)12(17)14-8-15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 269.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).