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

C15H25N3O2 — CID 103241875

IUPAC2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOc1cc(=O)[nH]c(C2CC2)n1)C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-14-9-13(19)16-15(17-14)12-5-6-12/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyMMJOSVXMBJMLII-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.14
Rot. Bonds7

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

2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241875) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241875
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOc1cc(=O)[nH]c(C2CC2)n1)C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-14-9-13(19)16-15(17-14)12-5-6-12/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyMMJOSVXMBJMLII-UHFFFAOYSA-N
XLogP2.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one (CID 103241875) is 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one is CC(C)N(CCOc1cc(=O)[nH]c(C2CC2)n1)C(C)C.
What is the InChIKey of 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is MMJOSVXMBJMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-14-9-13(19)16-15(17-14)12-5-6-12/h9-12H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).