2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C13H23N3O — CID 114206360

IUPAC2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCC(C)c1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-5-10(4)12-15-8-11(13(17)16-12)7-14-6-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyRTFJCEAUZOQIIZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

About 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206360) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206360
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCC(C)c1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-5-10(4)12-15-8-11(13(17)16-12)7-14-6-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyRTFJCEAUZOQIIZ-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206362
2-(1-ethoxyethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206258
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 114206357
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
CID 92648829
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82925221
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446535
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
2-(2-methylpropylsulfanylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206290

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 114206360) is 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is CCC(C)c1ncc(CNCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is RTFJCEAUZOQIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(4)12-15-8-11(13(17)16-12)7-14-6-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).