2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone

C21H30N6O — CID 56901600

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1
InChIInChI=1S/C21H30N6O/c1-4-26(13-17-7-9-23-10-8-17)18-6-5-11-27(14-18)20(28)12-19-15(2)24-21(22)25-16(19)3/h7-10,18H,4-6,11-14H2,1-3H3,(H2,22,24,25)
InChIKeyHFMSHWXGXFKOHU-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.13
Rot. Bonds6

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone (PubChem CID 56901600) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
PubChem CID56901600
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1
InChIInChI=1S/C21H30N6O/c1-4-26(13-17-7-9-23-10-8-17)18-6-5-11-27(14-18)20(28)12-19-15(2)24-21(22)25-16(19)3/h7-10,18H,4-6,11-14H2,1-3H3,(H2,22,24,25)
InChIKeyHFMSHWXGXFKOHU-UHFFFAOYSA-N
XLogP2.13
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
CID 56919120
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 45188632
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 56877144
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone (CID 56901600) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone is CCN(Cc1ccncc1)C1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is HFMSHWXGXFKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-4-26(13-17-7-9-23-10-8-17)18-6-5-11-27(14-18)20(28)12-19-15(2)24-21(22)25-16(19)3/h7-10,18H,4-6,11-14H2,1-3H3,(H2,22,24,25).
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56901600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).