N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide

C16H23N7O — CID 131925793

IUPACN-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(N2CCC(CNC(=O)Cn3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-7-3-13(4-8-22)10-18-15(24)11-23-6-2-5-19-23/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,18,24)(H2,17,20,21)
InChIKeyZETUEGQLUIHPHR-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.60
Rot. Bonds5

About N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide

N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 131925793) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID131925793
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(N2CCC(CNC(=O)Cn3cccn3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-7-3-13(4-8-22)10-18-15(24)11-23-6-2-5-19-23/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,18,24)(H2,17,20,21)
InChIKeyZETUEGQLUIHPHR-UHFFFAOYSA-N
XLogP0.60
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95599907
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
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CID 131942655
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153
2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 62113582
N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide (CID 131925793) is N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide is Cc1cc(N2CCC(CNC(=O)Cn3cccn3)CC2)nc(N)n1.
What is the InChIKey of N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is ZETUEGQLUIHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-7-3-13(4-8-22)10-18-15(24)11-23-6-2-5-19-23/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,18,24)(H2,17,20,21).
What are the key properties of N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 329.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 131925793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).