N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H23N7O — CID 90647609

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cnc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1
InChIInChI=1S/C16H23N7O/c1-13-10-19-14(20-13)11-21(2)15(24)12-22-6-8-23(9-7-22)16-17-4-3-5-18-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyHLZQRNTXZGGJBS-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.29
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 90647609) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID90647609
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cnc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1
InChIInChI=1S/C16H23N7O/c1-13-10-19-14(20-13)11-21(2)15(24)12-22-6-8-23(9-7-22)16-17-4-3-5-18-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyHLZQRNTXZGGJBS-UHFFFAOYSA-N
XLogP0.29
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70756872
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91835204
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595306
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519222
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 134700639
N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide
CID 14622624
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 90647609) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cc1cnc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is HLZQRNTXZGGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-13-10-19-14(20-13)11-21(2)15(24)12-22-6-8-23(9-7-22)16-17-4-3-5-18-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 90647609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).