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

C15H25N3O2 — CID 136852172

IUPAC4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-7-15(19)18-14(17-12)8-13-5-3-4-6-20-13/h7,11,13,16H,3-6,8-10H2,1-2H3,(H,17,18,19)
InChIKeyYTXGVDQFOUTWJL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.63
Rot. Bonds6

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

4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136852172) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136852172
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-7-15(19)18-14(17-12)8-13-5-3-4-6-20-13/h7,11,13,16H,3-6,8-10H2,1-2H3,(H,17,18,19)
InChIKeyYTXGVDQFOUTWJL-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 135978182
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
2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095281
4-[(2-methylpropylamino)methyl]-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 136095391
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-(ethylaminomethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 136095494

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136852172) is 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CC(C)CNCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YTXGVDQFOUTWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-7-15(19)18-14(17-12)8-13-5-3-4-6-20-13/h7,11,13,16H,3-6,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).