4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one

C15H25N3O2 — CID 136965433

IUPAC4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-5-20-13(10-6-7-10)14-17-11(8-12(19)18-14)9-16-15(2,3)4/h8,10,13,16H,5-7,9H2,1-4H3,(H,17,18,19)
InChIKeyAJNMDUMYOJVLEC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one

4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136965433) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136965433
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-5-20-13(10-6-7-10)14-17-11(8-12(19)18-14)9-16-15(2,3)4/h8,10,13,16H,5-7,9H2,1-4H3,(H,17,18,19)
InChIKeyAJNMDUMYOJVLEC-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 136965433) is 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is AJNMDUMYOJVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-20-13(10-6-7-10)14-17-11(8-12(19)18-14)9-16-15(2,3)4/h8,10,13,16H,5-7,9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).