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

C14H22N4O — CID 115266311

IUPAC4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
SMILESCC(=O)CCN(C)c1cc(NCC2CCC2)ncn1
InChIInChI=1S/C14H22N4O/c1-11(19)6-7-18(2)14-8-13(16-10-17-14)15-9-12-4-3-5-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFVDMPJRHBVIREM-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.10
Rot. Bonds7

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

4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one (PubChem CID 115266311) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one.

Molecular Properties

Compound Name4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
PubChem CID115266311
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
SMILESCC(=O)CCN(C)c1cc(NCC2CCC2)ncn1
InChIInChI=1S/C14H22N4O/c1-11(19)6-7-18(2)14-8-13(16-10-17-14)15-9-12-4-3-5-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFVDMPJRHBVIREM-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
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
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
3-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]amino]butanoic acid
CID 115264351
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one?
The IUPAC name of 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one (CID 115266311) is 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one.
What is the SMILES notation for 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one?
The canonical SMILES for 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one is CC(=O)CCN(C)c1cc(NCC2CCC2)ncn1.
What is the InChIKey of 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one?
The InChIKey is FVDMPJRHBVIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(19)6-7-18(2)14-8-13(16-10-17-14)15-9-12-4-3-5-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one?
4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one has a molecular weight of 262.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one is sourced from PubChem (CID 115266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).