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

C14H23N3O2 — CID 136965429

IUPAC4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)15-8-10-7-11(18)17-13(16-10)12(19-4)9-5-6-9/h7,9,12,15H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyZBPDDCPIUDMLHA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

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

4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136965429) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136965429
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)15-8-10-7-11(18)17-13(16-10)12(19-4)9-5-6-9/h7,9,12,15H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyZBPDDCPIUDMLHA-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 136965433
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965445
2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136965380
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852170

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136965429) is 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(CNC(C)(C)C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is ZBPDDCPIUDMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)15-8-10-7-11(18)17-13(16-10)12(19-4)9-5-6-9/h7,9,12,15H,5-6,8H2,1-4H3,(H,16,17,18).
What are the key properties of 4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 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(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).