1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one

C20H27N5O2 — CID 136531960

IUPAC1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one
SMILESCCOc1cc(NC2CCN(C(=O)C(C)(C)c3cccnc3)CC2)ncn1
InChIInChI=1S/C20H27N5O2/c1-4-27-18-12-17(22-14-23-18)24-16-7-10-25(11-8-16)19(26)20(2,3)15-6-5-9-21-13-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3,(H,22,23,24)
InChIKeyNNHLDXWKBLUYBK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.65
Rot. Bonds6

About 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one

1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one (PubChem CID 136531960) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one
PubChem CID136531960
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one
SMILESCCOc1cc(NC2CCN(C(=O)C(C)(C)c3cccnc3)CC2)ncn1
InChIInChI=1S/C20H27N5O2/c1-4-27-18-12-17(22-14-23-18)24-16-7-10-25(11-8-16)19(26)20(2,3)15-6-5-9-21-13-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3,(H,22,23,24)
InChIKeyNNHLDXWKBLUYBK-UHFFFAOYSA-N
XLogP2.65
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126789176
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
4-[(6-ethoxypyrimidin-4-yl)amino]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 139005476
4-[(6-ethoxypyrimidin-4-yl)amino]-N-(3-oxo-4H-1,4-benzothiazin-7-yl)piperidine-1-carboxamide
CID 166340017
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one (CID 136531960) is 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one is CCOc1cc(NC2CCN(C(=O)C(C)(C)c3cccnc3)CC2)ncn1.
What is the InChIKey of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one?
The InChIKey is NNHLDXWKBLUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-27-18-12-17(22-14-23-18)24-16-7-10-25(11-8-16)19(26)20(2,3)15-6-5-9-21-13-15/h5-6,9,12-14,16H,4,7-8,10-11H2,1-3H3,(H,22,23,24).
What are the key properties of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one?
1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one has a molecular weight of 369.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 136531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).