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

C15H27N3O2 — CID 103241885

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-10(2)15-16-13(19)9-14(17-15)20-8-7-18(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyMFPMACNWHXQYAM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.39
Rot. Bonds7

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

4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241885) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241885
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-10(2)15-16-13(19)9-14(17-15)20-8-7-18(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3,(H,16,17,19)
InChIKeyMFPMACNWHXQYAM-UHFFFAOYSA-N
XLogP2.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241885) is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MFPMACNWHXQYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)15-16-13(19)9-14(17-15)20-8-7-18(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3,(H,16,17,19).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 281.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).