4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C15H25N3O2 — CID 136852171

IUPAC4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-10-11-8-14(19)18-13(17-11)9-12-6-4-5-7-20-12/h8,12,16H,4-7,9-10H2,1-3H3,(H,17,18,19)
InChIKeyQZGKLMJQCUAXRL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.77
Rot. Bonds4

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

4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136852171) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136852171
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-10-11-8-14(19)18-13(17-11)9-12-6-4-5-7-20-12/h8,12,16H,4-7,9-10H2,1-3H3,(H,17,18,19)
InChIKeyQZGKLMJQCUAXRL-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978387
2-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095233
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095392
4-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095445
4-[(cyclopropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095465
4-[(tert-butylamino)methyl]-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 136095476
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095477
4-[(tert-butylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095561
2-(oxolan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095714
4-(methylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274256
4-(ethylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274257

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136852171) is 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CC(C)(C)NCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is QZGKLMJQCUAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)16-10-11-8-14(19)18-13(17-11)9-12-6-4-5-7-20-12/h8,12,16H,4-7,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-[(tert-butylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.77, 4 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-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).