1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone

C19H26N6O2 — CID 95822478

IUPAC1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1
InChIInChI=1S/C19H26N6O2/c1-13-8-14(2)23-19(22-13)24-17-10-16(20-12-21-17)9-15-4-6-25(7-5-15)18(26)11-27-3/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,20,21,22,23,24)
InChIKeyBXGHMWVJNWTXIU-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.05
Rot. Bonds6

About 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95822478) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95822478
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1
InChIInChI=1S/C19H26N6O2/c1-13-8-14(2)23-19(22-13)24-17-10-16(20-12-21-17)9-15-4-6-25(7-5-15)18(26)11-27-3/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,20,21,22,23,24)
InChIKeyBXGHMWVJNWTXIU-UHFFFAOYSA-N
XLogP2.05
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 95822158
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110269587
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
(E)-1-[3-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766834
(E)-1-[3-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 132766505
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
(2,3-difluorophenyl)-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95821679

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone (CID 95822478) is 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1.
What is the InChIKey of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is BXGHMWVJNWTXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-8-14(2)23-19(22-13)24-17-10-16(20-12-21-17)9-15-4-6-25(7-5-15)18(26)11-27-3/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,20,21,22,23,24).
What are the key properties of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 370.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95822478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).