1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one

C13H20N4O — CID 115266292

IUPAC1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-17(2)13-6-12(15-9-16-13)14-7-11-4-3-5-11/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeySFFUFDZOMKSVJE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds6

About 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one

1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one (PubChem CID 115266292) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
PubChem CID115266292
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-17(2)13-6-12(15-9-16-13)14-7-11-4-3-5-11/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeySFFUFDZOMKSVJE-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
CID 115266311
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266282
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
3-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]amino]butanoic acid
CID 115264351
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one?
The IUPAC name of 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one (CID 115266292) is 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one.
What is the SMILES notation for 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one?
The canonical SMILES for 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one is CC(=O)CN(C)c1cc(NCC2CCC2)ncn1.
What is the InChIKey of 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one?
The InChIKey is SFFUFDZOMKSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)8-17(2)13-6-12(15-9-16-13)14-7-11-4-3-5-11/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one?
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one is sourced from PubChem (CID 115266292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).