3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one

C19H26N6O — CID 95822158

IUPAC3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-14(2)10-18(26)25-8-4-15(5-9-25)11-16-12-17(23-13-22-16)24-19-20-6-3-7-21-19/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,20,21,22,23,24)
InChIKeyIRVMBUWXOKAAJI-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.84
Rot. Bonds6

About 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one

3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one (PubChem CID 95822158) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
PubChem CID95822158
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-14(2)10-18(26)25-8-4-15(5-9-25)11-16-12-17(23-13-22-16)24-19-20-6-3-7-21-19/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,20,21,22,23,24)
InChIKeyIRVMBUWXOKAAJI-UHFFFAOYSA-N
XLogP2.84
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

(2,3-difluorophenyl)-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95821679
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 95822478
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
3-(1-methylpyrazol-4-yl)-1-[4-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 171147335
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 118546910
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one (CID 95822158) is 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1.
What is the InChIKey of 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one?
The InChIKey is IRVMBUWXOKAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(2)10-18(26)25-8-4-15(5-9-25)11-16-12-17(23-13-22-16)24-19-20-6-3-7-21-19/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,20,21,22,23,24).
What are the key properties of 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one?
3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one has a molecular weight of 354.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).