1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one

C19H25N5O — CID 95843641

IUPAC1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2cc(Nc3cccc(C)n3)ncn2)CC1
InChIInChI=1S/C19H25N5O/c1-3-19(25)24-9-7-15(8-10-24)11-16-12-18(21-13-20-16)23-17-6-4-5-14(2)22-17/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,20,21,22,23)
InChIKeyVVGIBVZOPBHEPM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one

1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 95843641) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID95843641
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2cc(Nc3cccc(C)n3)ncn2)CC1
InChIInChI=1S/C19H25N5O/c1-3-19(25)24-9-7-15(8-10-24)11-16-12-18(21-13-20-16)23-17-6-4-5-14(2)22-17/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,20,21,22,23)
InChIKeyVVGIBVZOPBHEPM-UHFFFAOYSA-N
XLogP3.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
CID 95843766
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
CID 95844665
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 95822478
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 118546910
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
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95815297
(2,3-difluorophenyl)-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95821679
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one (CID 95843641) is 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2cc(Nc3cccc(C)n3)ncn2)CC1.
What is the InChIKey of 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is VVGIBVZOPBHEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-19(25)24-9-7-15(8-10-24)11-16-12-18(21-13-20-16)23-17-6-4-5-14(2)22-17/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,20,21,22,23).
What are the key properties of 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95843641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).