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

C17H25N7O2 — CID 135111656

IUPACN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ncc(CN(CCO)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O2/c1-14-20-11-15(21-14)12-24(9-10-25)16(26)13-22-5-7-23(8-6-22)17-18-3-2-4-19-17/h2-4,11,25H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyGGQRYQHNGJVILX-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.35
Rot. Bonds7

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

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 135111656) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID135111656
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ncc(CN(CCO)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O2/c1-14-20-11-15(21-14)12-24(9-10-25)16(26)13-22-5-7-23(8-6-22)17-18-3-2-4-19-17/h2-4,11,25H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyGGQRYQHNGJVILX-UHFFFAOYSA-N
XLogP-0.35
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide
CID 72893254
4-[6-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 128095125
(5-methyl-1H-imidazol-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 154888996
1-(1H-imidazol-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56872030
1-[4-[2-[2-[[(3Z)-3-amino-5-iminopenta-1,3-dien-2-yl]iminomethyl]-1H-imidazol-5-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;molecular hydrogen
CID 153330789
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide
CID 3375977
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide
CID 6722778
1-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4-(2-pyrimidinyl)-1,4-diazepane
CID 28358191
2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 51089181
3-(2-Hydroxy-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53368481
2-imidazol-1-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 53522443
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 53565318

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 135111656) is N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cc1ncc(CN(CCO)C(=O)CN2CCN(c3ncccn3)CC2)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GGQRYQHNGJVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-14-20-11-15(21-14)12-24(9-10-25)16(26)13-22-5-7-23(8-6-22)17-18-3-2-4-19-17/h2-4,11,25H,5-10,12-13H2,1H3,(H,20,21).
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135111656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).